Geometry & MOs

Info

ID:	166180
PubChem CID:	74646642
Reduced:	FON5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	385.212732
ΔH_f, kcal/mol:	27.32
Dipole, Da:	5.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.841955
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)[NH+](C)CC(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations