Geometry & MOs

Info

ID:	260498
PubChem CID:	103193974
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	8.27
IP(EA), eV:	-10.61(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-nitrophenyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations