Geometry & MOs

Info

ID:	62763
PubChem CID:	26736657
Reduced:	N3O5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	371.152631
ΔH_f, kcal/mol:	-86.98
Dipole, Da:	6.19
IP(EA), eV:	-8.81(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2CCN(CC2)CC3=CC=CC=C3)OC

DOS

IR

Vibrations