Geometry & MOs

Info

ID:	175148
PubChem CID:	75861540
Reduced:	N2O3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	3.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.087250
Charge, e:	2

Chem-info

IUPAC name:

(3,5-dimethoxyphenyl)methyl-[1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)C(=O)C[NH+](C2CC2)C3CCC4=CC=CC=C34

DOS

IR

Vibrations