Geometry & MOs

Info

ID:	121098
PubChem CID:	50755840
Reduced:	ClO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	-64.35
Dipole, Da:	2.69
IP(EA), eV:	-9.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[(2-methylphenyl)methyl]-4-N-(pyridin-2-ylmethyl)-1H-imidazole-4,5-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1=C(NC=N1)C(=O)NCC2=CC=CC=C2Cl

DOS

IR

Vibrations