Geometry & MOs

Info

ID:	175415
PubChem CID:	75901093
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	426.275667
ΔH_f, kcal/mol:	-174.47
Dipole, Da:	1.55
IP(EA), eV:	-9.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-methyl-[3-(2-methylphenoxy)propyl]azanium

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC2=CC=CC=C2OCC(=O)NCC3CCCO3

DOS

IR

Vibrations