Geometry & MOs

Info

ID:	138059
PubChem CID:	52305295
Reduced:	SN2O6C20H20 (1)
Stoich.:	AB2C6D20E20 (1)
Weight, g/mol:	418.213067
ΔH_f, kcal/mol:	-157.88
Dipole, Da:	3.17
IP(EA), eV:	-8.45(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCNC(=O)C2=CC3=C(C=C2)C(=O)N(S3(=O)=O)C4CC4

DOS

IR

Vibrations