Geometry & MOs

Info

ID:	71627
PubChem CID:	48415131
Reduced:	Cl2N2O2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	310.063968
ΔH_f, kcal/mol:	-27.0
Dipole, Da:	1.75
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCC#C)OC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations