Geometry & MOs

Info

ID:	23212
PubChem CID:	602784
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	239.131014
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	5.22
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,2-trimethyl-1,3-dihydrobenzo[f]isoquinolin-4-one

Drug info:

PubChemData

Smile

CC1C2=C(C=CC3=CC=CC=C32)C(=O)NC1(C)C

DOS

IR

Vibrations