Geometry & MOs

Info

ID:	30888
PubChem CID:	842107
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-164.85
Dipole, Da:	1.99
IP(EA), eV:	-8.4(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-6-[(4-ethoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=C(C[C@H]2C(=O)O)C)C

DOS

IR

Vibrations