Geometry & MOs

Info

ID:	194083
PubChem CID:	78479254
Reduced:	NO3C20H26 (1)
Stoich.:	AB3C20D26 (1)
Weight, g/mol:	417.09261
ΔH_f, kcal/mol:	-51.07
Dipole, Da:	3.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760265
Charge, e:	1

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)ethylideneamino]-2-morpholin-4-ium-4-yl-2-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

C1CC(OC1)C[NH2+]CCOC2=CC=CC=C2OCC3=CC=CC=C3

DOS

IR

Vibrations