Geometry & MOs

Info

ID:	24675
PubChem CID:	612115
Reduced:	ON2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	5.3
Dipole, Da:	9.45
IP(EA), eV:	-8.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3)C#N

DOS

IR

Vibrations