Geometry & MOs

Info

ID:	71541
PubChem CID:	48415019
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-48.31
Dipole, Da:	5.65
IP(EA), eV:	-8.46(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations