Geometry & MOs

Info

ID:	396673
PubChem CID:	135029016
Reduced:	FNOH12C19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	354.16198
ΔH_f, kcal/mol:	19.83
Dipole, Da:	1.96
IP(EA), eV:	-8.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-3,4-diphenylisochromen-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=CO4

DOS

IR

Vibrations