Geometry & MOs

Info

ID:	10697
PubChem CID:	106875
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	17.94
Dipole, Da:	4.26
IP(EA), eV:	-9.3(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-propan-2-ylphenyl)propanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations