Geometry & MOs

Info

ID:	71598
PubChem CID:	48415091
Reduced:	ON2C20H22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	44.0
Dipole, Da:	3.27
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations