Geometry & MOs

Info

ID:	126741
PubChem CID:	50976282
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-24.81
Dipole, Da:	8.6
IP(EA), eV:	-8.47(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CCN2C=NC(=C2C3=CC(=CC=C3)O)C4=CC=CC=C4

DOS

IR

Vibrations