Geometry & MOs

Info

ID:	283382
PubChem CID:	103978825
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	5.04
IP(EA), eV:	-9.38(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)C2CCCC2C(=O)O

DOS

IR

Vibrations