Geometry & MOs

Info

ID:	259769
PubChem CID:	103173990
Reduced:	BrN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	343.08954
ΔH_f, kcal/mol:	-55.36
Dipole, Da:	3.25
IP(EA), eV:	-8.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CN2CCC(CC2)CBr)OC

DOS

IR

Vibrations