Geometry & MOs

Info

ID:	166359
PubChem CID:	74676807
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	372.20873
ΔH_f, kcal/mol:	-90.65
Dipole, Da:	20.8
IP(EA), eV:	-7.7(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC(CN1C(=C2C=CC(=CC2=NC1=O)C(=O)OC)[O-])[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations