Geometry & MOs

Info

ID:	26762
PubChem CID:	798231
Reduced:	ON2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	269.121592
ΔH_f, kcal/mol:	12.0
Dipole, Da:	2.14
IP(EA), eV:	-8.6(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(N=C2C=C1)C)NC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations