Geometry & MOs

Info

ID:	425725
PubChem CID:	135127614
Reduced:	Cl2N2O2H18C25 (1)
Stoich.:	A2B2C2D18E25 (1)
Weight, g/mol:	323.071306
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	8.05
IP(EA), eV:	-8.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-chloroanilino)-1,2-dihydrobenzo[c]chromen-6-one

Drug info:

PubChemData

Smile

C1CC2=C(C=C1NC3=CC=CC=C3Cl)OC(=O)C4=C2C=CC(=C4)NC5=CC=CC=C5Cl

DOS

IR

Vibrations