Geometry & MOs

Info

ID:	194149
PubChem CID:	78491506
Reduced:	ON3C21H30 (1)
Stoich.:	AB3C21D30 (1)
Weight, g/mol:	292.238888
ΔH_f, kcal/mol:	-1.63
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.137550
Charge, e:	1

Chem-info

IUPAC name:

[1-[4-(dimethylamino)phenyl]-2-(3-methylbutanoylamino)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)CCC1=CC=CC=C1)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations