Geometry & MOs

Info

ID:	259777
PubChem CID:	103174146
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	3.67
IP(EA), eV:	-8.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxypyridin-2-yl)methyl]-3-ethylpiperazine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CSC2=CC=C(C=C2)CN)OC

DOS

IR

Vibrations