Geometry & MOs

Info

ID:	71594
PubChem CID:	48415087
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	35.89
Dipole, Da:	5.53
IP(EA), eV:	-8.42(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations