Geometry & MOs

Info

ID:	372761
PubChem CID:	131304154
Reduced:	BrSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	253.02146
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	4.45
IP(EA), eV:	-9.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-1-cyclopentylimidazol-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C2C=CSC2=C1CC(=O)O)Br

DOS

IR

Vibrations