Geometry & MOs

Info

ID:	165180
PubChem CID:	74512268
Reduced:	N2O2C19H25 (1)
Stoich.:	A2B2C19D25 (1)
Weight, g/mol:	313.191603
ΔH_f, kcal/mol:	-31.62
Dipole, Da:	3.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977521
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

DOS

IR

Vibrations