Geometry & MOs

Info

ID:	374718
PubChem CID:	131342538
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	198.97451
ΔH_f, kcal/mol:	8.25
Dipole, Da:	2.32
IP(EA), eV:	-8.64(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-1H-imidazol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC=C2C(CC#N)O

DOS

IR

Vibrations