Geometry & MOs

Info

ID:	165050
PubChem CID:	74489396
Reduced:	O3N4C24H40 (1)
Stoich.:	A3B4C24D40 (1)
Weight, g/mol:	488.274718
ΔH_f, kcal/mol:	-187.38
Dipole, Da:	7.14
IP(EA), eV:	-9.7(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N-(3-methylbutyl)-3-nitro-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CCC(C)C)C(=O)C23CC4CC(C2)CC(C4)C3)N

DOS

IR

Vibrations