Geometry & MOs

Info

ID:	265132
PubChem CID:	103510961
Reduced:	BrON4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	51.03
Dipole, Da:	5.08
IP(EA), eV:	-9.45(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioylphenyl)-N,3-dimethylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)NC2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations