Geometry & MOs

Info

ID:	166893
PubChem CID:	74750974
Reduced:	OS2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	363.127559
ΔH_f, kcal/mol:	36.15
Dipole, Da:	10.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.855247
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC[NH+](CC1=CC=CS1)CC2=NC(=O)C3C4=C(CCCC4)SC3=N2

DOS

IR

Vibrations