Geometry & MOs

Info

ID:	275716
PubChem CID:	103817232
Reduced:	OCl2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	293.01637
ΔH_f, kcal/mol:	22.43
Dipole, Da:	4.94
IP(EA), eV:	-9.12(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-1-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)Cl)NC(=O)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations