Geometry & MOs

Info

ID:	441215
PubChem CID:	135233653
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	401.253923
ΔH_f, kcal/mol:	-217.65
Dipole, Da:	6.5
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-3-[5-(2,2-dimethylpropylamino)-6-[methyl(nitroso)amino]pyridin-2-yl]butyl]-1-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=C(CC1=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations