Geometry & MOs

Info

ID:	71589
PubChem CID:	48415082
Reduced:	OCl2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	310.063968
ΔH_f, kcal/mol:	18.87
Dipole, Da:	3.45
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3,5-dichlorophenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations