Geometry & MOs

Info

ID:	27601
PubChem CID:	822496
Reduced:	NO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-214.06
Dipole, Da:	5.97
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CC[C@H](C1(C)C)C(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)O

DOS

IR

Vibrations