Geometry & MOs

Info

ID:	20322
PubChem CID:	583102
Reduced:	NOC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	303.162314
ΔH_f, kcal/mol:	17.41
Dipole, Da:	2.82
IP(EA), eV:	-8.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-(2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(N(C2=CC=CC=C12)C(=O)C=CC3=CC=CC=C3)(C)C

DOS

IR

Vibrations