Geometry & MOs

Info

ID:	43732
PubChem CID:	10321714
Reduced:	ICl2N3H10C17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	454.00784
ΔH_f, kcal/mol:	99.55
Dipole, Da:	3.72
IP(EA), eV:	-8.6(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C(N2)C4=C(C=CN=C4Cl)I)C(=NC=C3)Cl

DOS

IR

Vibrations