Geometry & MOs

Info

ID:	30468
PubChem CID:	841374
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-92.36
Dipole, Da:	4.61
IP(EA), eV:	-8.43(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-6-(propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@@H](C)OC2=CC=C(C=C2)C

DOS

IR

Vibrations