Geometry & MOs

Info

ID:	14717
PubChem CID:	418765
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	4.7
Dipole, Da:	5.15
IP(EA), eV:	-8.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-nitrophenyl)methyl]piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations