Geometry & MOs

Info

ID:	71200
PubChem CID:	48414440
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	18.81
Dipole, Da:	3.08
IP(EA), eV:	-8.83(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations