Geometry & MOs

Info

ID:	71435
PubChem CID:	48414856
Reduced:	OCl2N2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	278.123069
ΔH_f, kcal/mol:	8.41
Dipole, Da:	1.97
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations