Geometry & MOs

Info

ID:	203629
PubChem CID:	79852786
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-99.0
Dipole, Da:	5.27
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylcyclohexyl)-4-methylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1N(CC(=O)O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations