Geometry & MOs

Info

ID:	421355
PubChem CID:	135115846
Reduced:	N6O7C38H48 (1)
Stoich.:	A6B7C38D48 (1)
Weight, g/mol:	275.185844
ΔH_f, kcal/mol:	-262.18
Dipole, Da:	3.97
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-6-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=CN(C(=O)C=C3)C)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations