Geometry & MOs

Info

ID:	71640
PubChem CID:	48415146
Reduced:	SN4O4C19H28 (1)
Stoich.:	AB4C4D19E28 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-104.16
Dipole, Da:	4.4
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-cyclohex-3-en-1-ylmethanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations