Geometry & MOs

Info

ID:	203630
PubChem CID:	79852787
Reduced:	NO2C15H27 (1)
Stoich.:	AB2C15D27 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-131.22
Dipole, Da:	5.64
IP(EA), eV:	-8.59(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylcyclohexyl)azepane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1N2CCC(CC2)(C)C(=O)O)C

DOS

IR

Vibrations