Geometry & MOs

Info

ID:	165179
PubChem CID:	74512267
Reduced:	N2O2C18H23 (1)
Stoich.:	A2B2C18D23 (1)
Weight, g/mol:	313.191603
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	3.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002561
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)C(CNC(=O)C2=CC=CC=C2)C3=CC=CO3

DOS

IR

Vibrations