Geometry & MOs

Info

ID:	441226
PubChem CID:	135233726
Reduced:	ON6C24H40 (1)
Stoich.:	AB6C24D40 (1)
Weight, g/mol:	455.300873
ΔH_f, kcal/mol:	-34.47
Dipole, Da:	6.25
IP(EA), eV:	-7.94(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[5-(2,2-dimethylpropylamino)-6-[methyl(nitroso)amino]pyridin-2-yl]-2,2-dimethylcyclohexyl]-1-methylimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(CC1NC(=O)/C(=C/N)/C=NC)C2=NC(=C(C=C2)NCC(C)(C)C)NC)C

DOS

IR

Vibrations