Geometry & MOs

Info

ID:	232974
PubChem CID:	87577849
Reduced:	F3N3O4C24H34 (1)
Stoich.:	A3B3C4D24E34 (1)
Weight, g/mol:	185.091275
ΔH_f, kcal/mol:	-303.22
Dipole, Da:	7.76
IP(EA), eV:	-8.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-diamino-4-hydroxy-3-methyl-4H-pyrimidin-5-yl)formamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1N(C2CCOCC2)C(=O)C(F)(F)F)C(=O)O)N3CCCN(CC3)C

DOS

IR

Vibrations