Geometry & MOs

Info

ID:	309173
PubChem CID:	126539475
Reduced:	ON3C25H33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	460.90825
ΔH_f, kcal/mol:	18.95
Dipole, Da:	3.96
IP(EA), eV:	-8.29(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-2-iodo-6-methylphenyl) 3,6-dichloro-2-methoxybenzoate

Drug info:

PubChemData

Smile

CCC(=O)N(CC1(CC1)N2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations