Geometry & MOs

Info

ID:	159660
PubChem CID:	57288595
Reduced:	FNOH18C19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	392.081537
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	4.34
IP(EA), eV:	-8.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzyl-4-oxo-2,3-dihydrochromen-7-yl)-4-chlorobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(CC2=C1CCCC2)C=C3C4=C(C(=CC=C4)F)NC3=O

DOS

IR

Vibrations