Geometry & MOs

Info

ID:	166251
PubChem CID:	74656429
Reduced:	N3O3C27H35 (1)
Stoich.:	A3B3C27D35 (1)
Weight, g/mol:	356.17743
ΔH_f, kcal/mol:	-80.95
Dipole, Da:	3.36
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCCC(=O)N(CC2NC3CCCCC3C(=O)N2)CC4=CC=CC=C4)C

DOS

IR

Vibrations