Geometry & MOs

Info

ID:	59534
PubChem CID:	24875260
Reduced:	ON3C13H17 (2)
Stoich.:	AB3C13D17 (2)
Weight, g/mol:	488.289974
ΔH_f, kcal/mol:	-30.69
Dipole, Da:	5.32
IP(EA), eV:	-8.91(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCCNC(C)(C)C1=CC(=C(C=C1)NC(=O)C2=NC=C(N2)C#N)C3=CCC(CC3)(C)C

DOS

IR

Vibrations