Geometry & MOs

Info

ID:	194153
PubChem CID:	78491702
Reduced:	N3O3C24H34 (1)
Stoich.:	A3B3C24D34 (1)
Weight, g/mol:	413.21888
ΔH_f, kcal/mol:	-80.1
Dipole, Da:	2.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.140277
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(CNC(=O)CCC2=CC=C(C=C2)OC)[NH+]3CCOCC3

DOS

IR

Vibrations