Geometry & MOs

Info

ID:	265131
PubChem CID:	103510955
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	303.99597
ΔH_f, kcal/mol:	19.52
Dipole, Da:	5.6
IP(EA), eV:	-9.38(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-cyanophenyl)-3-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)N2CCC(CC2)(C#N)SC

DOS

IR

Vibrations