Geometry & MOs

Info

ID:	295078
PubChem CID:	117515606
Reduced:	BrN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	340.11503
ΔH_f, kcal/mol:	-56.78
Dipole, Da:	2.62
IP(EA), eV:	-8.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-bromo-3-methoxy-5-propan-2-ylphenyl)ethyl]piperazine

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1C3CC(CN3C)CN)Br)OCCO2

DOS

IR

Vibrations