Geometry & MOs

Info

ID:	255678
PubChem CID:	103133954
Reduced:	NOH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	265.090292
ΔH_f, kcal/mol:	19.36
Dipole, Da:	5.13
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-4-methylphenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)C2=CC=CC3=C2C=NC=C3)C

DOS

IR

Vibrations