Geometry & MOs

Info

ID:	374007
PubChem CID:	131322296
Reduced:	BrSO3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	276.00106
ΔH_f, kcal/mol:	-87.73
Dipole, Da:	2.3
IP(EA), eV:	-8.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-2-(2-bromophenyl)-1H-imidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)CCO2)Br

DOS

IR

Vibrations