Geometry & MOs

Info

ID:	30931
PubChem CID:	853822
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-136.63
Dipole, Da:	3.93
IP(EA), eV:	-8.71(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(pyridin-3-ylcarbamoyl)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