Geometry & MOs

Info

ID:	71354
PubChem CID:	48414674
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	350.06299
ΔH_f, kcal/mol:	-7.25
Dipole, Da:	3.3
IP(EA), eV:	-8.82(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-methoxyphenyl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations