Geometry & MOs

Info

ID:	223340
PubChem CID:	85334889
Reduced:	N3O28C62H108 (2)
Stoich.:	A3B28C62D108 (2)
Weight, g/mol:	140.069811
ΔH_f, kcal/mol:	-2762.81
Dipole, Da:	18.25
IP(EA), eV:	-10.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-diamino-6-methyl-5H-pyrimidin-2-one

Drug info:

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)OC5(CC(C(C(O5)C(C(CO)OC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)OC7(CC(C(C(O7)C(C(CO)OC8(CC(C(C(O8)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)NC(=O)C)O)O)O)O)C(C=CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations