Geometry & MOs

Info

ID:	194156
PubChem CID:	78491705
Reduced:	O2N3C20H32 (1)
Stoich.:	A2B3C20D32 (1)
Weight, g/mol:	418.189745
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	6.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.134964
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2CCCC2)[NH+]3CCOCC3

DOS

IR

Vibrations