Geometry & MOs

Info

ID:	71682
PubChem CID:	48415197
Reduced:	ClFON4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	364.07864
ΔH_f, kcal/mol:	22.86
Dipole, Da:	3.19
IP(EA), eV:	-8.83(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-1-(4-but-3-ynylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N2CCN(CC2)CCC#C)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations