Geometry & MOs

Info

ID:	173767
PubChem CID:	75679793
Reduced:	O2N3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	-54.44
Dipole, Da:	4.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754400
Charge, e:	2

Chem-info

IUPAC name:

[1-[(2-ethoxyphenyl)methylazaniumyl]-4-methylpentan-2-yl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)[NH+]4CCCCC4

DOS

IR

Vibrations