Geometry & MOs

Info

ID:	196717
PubChem CID:	78868945
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	3.82
IP(EA), eV:	-8.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC(C3=CC=CO3)O)C4=CC=CC=C4)C

DOS

IR

Vibrations