Geometry & MOs

Info

ID:	371761
PubChem CID:	131271547
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	212.106196
ΔH_f, kcal/mol:	-53.06
Dipole, Da:	3.52
IP(EA), eV:	-9.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-amino-5-methyl-1H-imidazol-4-yl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)C(C#N)O)O

DOS

IR

Vibrations