Geometry & MOs

Info

ID:	309963
PubChem CID:	126571015
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	461.098306
ΔH_f, kcal/mol:	62.42
Dipole, Da:	5.33
IP(EA), eV:	-9.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2/C(=C/C#N)/CC13CC3)C

DOS

IR

Vibrations