Geometry & MOs

Info

ID:	272869
PubChem CID:	103763057
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	404.96287
ΔH_f, kcal/mol:	-74.96
Dipole, Da:	2.41
IP(EA), eV:	-8.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chloro-2-iodophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCNC(=O)C1=CC(=O)NC=C1)C2CCCC2

DOS

IR

Vibrations