Geometry & MOs

Info

ID:	262195
PubChem CID:	103276288
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	254.178299
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	10.01
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations