Geometry & MOs

Info

ID:	446850
PubChem CID:	135278205
Reduced:	BrNSO2H28C32 (1)
Stoich.:	ABCD2E28F32 (1)
Weight, g/mol:	246.149891
ΔH_f, kcal/mol:	32.76
Dipole, Da:	5.13
IP(EA), eV:	-8.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine

Drug info:

PubChemData

Smile

C1CNCCC1C2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)Br

DOS

IR

Vibrations