Geometry & MOs

Info

ID:	194050
PubChem CID:	78472754
Reduced:	ClON3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	276.171202
ΔH_f, kcal/mol:	15.74
Dipole, Da:	8.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766997
Charge, e:	1

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)ethylideneamino]-2-morpholin-4-ium-4-ylacetamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC(=O)NN=CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations