Geometry & MOs

Info

ID:	59501
PubChem CID:	24875165
Reduced:	FO3N9H18C23 (1)
Stoich.:	AB3C9D18E23 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	61.3
Dipole, Da:	3.65
IP(EA), eV:	-9.66(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(3-hydroxypropylamino)-2-oxoethyl]pyridin-3-yl]-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NO2)C3=CN=CC=C3)C(=O)C(=O)C4=CNC5=C4C(=CN=C5N6C=CN=N6)F

DOS

IR

Vibrations