Geometry & MOs

Info

ID:	30803
PubChem CID:	841943
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-18.3
Dipole, Da:	4.51
IP(EA), eV:	-8.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2C)C

DOS

IR

Vibrations