Geometry & MOs

Info

ID:	30929
PubChem CID:	853817
Reduced:	ClNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-145.04
Dipole, Da:	5.77
IP(EA), eV:	-8.88(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(3-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