Geometry & MOs

Info

ID:	167106
PubChem CID:	74781744
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	380.214958
ΔH_f, kcal/mol:	-146.07
Dipole, Da:	4.18
IP(EA), eV:	-8.52(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[3-[1-[(2,3-difluorophenyl)methyl]piperidin-1-ium-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C3CN(CC3OC2=O)C4CCCC4)OC

DOS

IR

Vibrations