Geometry & MOs

Info

ID:	71733
PubChem CID:	48415281
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	6.28
IP(EA), eV:	-8.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-but-3-ynylpiperazine-1-carbonyl)piperidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC2=NC(=CS2)CC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations