Geometry & MOs

Info

ID:	30889
PubChem CID:	842108
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-165.56
Dipole, Da:	5.43
IP(EA), eV:	-8.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-3,4-dimethyl-6-[(3-methylphenyl)carbamoyl]cyclohex-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