Geometry & MOs

Info

ID:	71788
PubChem CID:	48415399
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-13.99
Dipole, Da:	3.59
IP(EA), eV:	-8.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations