Geometry & MOs

Info

ID:	175431
PubChem CID:	75905126
Reduced:	FN2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	393.217818
ΔH_f, kcal/mol:	13.56
Dipole, Da:	2.38
IP(EA), eV:	-8.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 3-[4-[[2-[2-(3-methylphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCCN2CC3=C4C(=CC(=C3)F)C=CC=N4

DOS

IR

Vibrations