Geometry & MOs

Info

ID:	37811
PubChem CID:	8024748
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-69.89
Dipole, Da:	5.8
IP(EA), eV:	-9.95(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[(7-methoxy-1,3-benzodioxol-5-yl)methylazaniumyl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)C

DOS

IR

Vibrations