Geometry & MOs

Info

ID:	373514
PubChem CID:	131316380
Reduced:	SN2O2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	246.97451
ΔH_f, kcal/mol:	6.07
Dipole, Da:	7.61
IP(EA), eV:	-9.66(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-phenylimidazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC(=NC=C2)C=CC(=O)O

DOS

IR

Vibrations