Geometry & MOs

Info

ID:	170447
PubChem CID:	75235240
Reduced:	BrFN3O3C24H25 (1)
Stoich.:	ABC3D3E24F25 (1)
Weight, g/mol:	343.137242
ΔH_f, kcal/mol:	-154.92
Dipole, Da:	2.35
IP(EA), eV:	-8.99(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-benzylidene-7-fluoro-1H-isoquinolin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CN2C3CCCCC3C(=O)N(C2=O)CC4=CC=C(C=C4)F)Br

DOS

IR

Vibrations