Geometry & MOs

Info

ID:	71634
PubChem CID:	48415140
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-66.75
Dipole, Da:	2.02
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-ethoxy-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations