Geometry & MOs

Info

ID:	153154
PubChem CID:	56312301
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	386.09938
ΔH_f, kcal/mol:	-138.88
Dipole, Da:	4.19
IP(EA), eV:	-9.02(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations