Geometry & MOs

Info

ID:	19183
PubChem CID:	556921
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-11.6
Dipole, Da:	8.64
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-nitro-5-piperidin-1-ylaniline

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

DOS

IR

Vibrations