Geometry & MOs

Info

ID:	30926
PubChem CID:	853812
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	295.097521
ΔH_f, kcal/mol:	-176.78
Dipole, Da:	3.98
IP(EA), eV:	-10.01(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[(3-chloro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O

DOS

IR

Vibrations