Geometry & MOs

Info

ID:	296065
PubChem CID:	117553957
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	243.117176
ΔH_f, kcal/mol:	-32.41
Dipole, Da:	5.03
IP(EA), eV:	-8.46(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butanenitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(NC(=N2)C(CC)CO)C

DOS

IR

Vibrations