Geometry & MOs

Info

ID:	193937
PubChem CID:	78458769
Reduced:	NO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	383.244701
ΔH_f, kcal/mol:	-94.15
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754658
Charge, e:	1

Chem-info

IUPAC name:

[1-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dimethylanilino)-2-oxoacetyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC[NH+](CC)CC(COC1=CC=CC=C1C(=O)C)O

DOS

IR

Vibrations