Geometry & MOs

Info

ID:	30930
PubChem CID:	853821
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-136.11
Dipole, Da:	3.17
IP(EA), eV:	-8.94(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O

DOS

IR

Vibrations