Geometry & MOs

Info

ID:	373067
PubChem CID:	131309380
Reduced:	SO3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	212.106196
ΔH_f, kcal/mol:	-103.9
Dipole, Da:	5.95
IP(EA), eV:	-9.03(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2-imidazol-1-ylphenyl)propanenitrile

Drug info:

PubChemData

Smile

CCC1=C(C2=C(S1)C=CC(=C2)O)C(=O)O

DOS

IR

Vibrations