Geometry & MOs

Info

ID:	379028
PubChem CID:	134228940
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	379.083602
ΔH_f, kcal/mol:	140.01
Dipole, Da:	6.04
IP(EA), eV:	-9.23(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-5-methylphenyl)methyl]-2-(5-cyanopyridin-3-yl)-5-methyl-N-oxoimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C=C(/C=C)\C1=NC=C(N1CC2=CC=CC(=C2/C=C\C#C)C)C(=O)N=O

DOS

IR

Vibrations