Geometry & MOs

Info

ID:	71444
PubChem CID:	48414877
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	350.06299
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	4.13
IP(EA), eV:	-9.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-1-(4-but-3-ynylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations