Geometry & MOs

Info

ID:	407017
PubChem CID:	135079147
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	20.42
Dipole, Da:	3.74
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(2-methyl-3,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)/C=C/2\C3=CC=CC=C3CCN2C

DOS

IR

Vibrations