Geometry & MOs

Info

ID:	30938
PubChem CID:	853848
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	4.84
IP(EA), eV:	-8.72(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-6-[(3,4-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)C

DOS

IR

Vibrations