Geometry & MOs

Info

ID:	71731
PubChem CID:	48415274
Reduced:	OF2N2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	407.116732
ΔH_f, kcal/mol:	-69.63
Dipole, Da:	2.35
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations