Geometry & MOs

Info

ID:	170448
PubChem CID:	75235523
Reduced:	FNOH18C23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	415.178358
ΔH_f, kcal/mol:	1.24
Dipole, Da:	2.49
IP(EA), eV:	-9.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-benzylidene-5,6,7-trimethoxy-1H-isoquinolin-3-one

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)F)C(=CC3=CC=CC=C3)C(=O)N1CC4=CC=CC=C4

DOS

IR

Vibrations