Geometry & MOs

Info

ID:	291577
PubChem CID:	113445485
Reduced:	BrClON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	286.100354
ΔH_f, kcal/mol:	-39.01
Dipole, Da:	1.01
IP(EA), eV:	-8.43(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichloro-4-methylphenyl)-5-ethyl-2-methylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)NCCN2CCOCC2)Br

DOS

IR

Vibrations