Geometry & MOs

Info

ID:	320439
PubChem CID:	126661007
Reduced:	N7C17H17 (1)
Stoich.:	A7B17C17 (1)
Weight, g/mol:	147.104799
ΔH_f, kcal/mol:	203.47
Dipole, Da:	3.09
IP(EA), eV:	-8.25(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-ylcyclohexa-1,3-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CNC\1=NC=C/C1=C(\C2=CN(N=C2)C(CC#N)C3(CC3)C#N)/N=C

DOS

IR

Vibrations