Geometry & MOs

Info

ID:	164885
PubChem CID:	74466677
Reduced:	N3O4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	405.217818
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.009591
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NCCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

DOS

IR

Vibrations