Geometry & MOs

Info

ID:	30927
PubChem CID:	853814
Reduced:	ClNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	295.097521
ΔH_f, kcal/mol:	-142.96
Dipole, Da:	6.3
IP(EA), eV:	-9.54(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)[C@H]2CCCC[C@H]2C(=O)O

DOS

IR

Vibrations