Geometry & MOs

Info

ID:	312306
PubChem CID:	126604219
Reduced:	OC14H16 (2)
Stoich.:	AB14C16 (2)
Weight, g/mol:	469.084764
ΔH_f, kcal/mol:	-31.16
Dipole, Da:	2.1
IP(EA), eV:	-8.67(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-9-[bis[(4-chlorophenyl)methyl]amino]-4H-1,3-benzodioxocine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(OC1=CC=C(C=C1)C2=CC3=C(CC3(C)C)C=C2)OC4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations