Geometry & MOs

Info

ID:	404796
PubChem CID:	135071058
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	177.15175
ΔH_f, kcal/mol:	-29.73
Dipole, Da:	5.0
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-2,7-dimethyloct-6-enenitrile

Drug info:

PubChemData

Smile

CC1CCN2C(C1)NC(=O)C3=CC=CC=C32

DOS

IR

Vibrations