Geometry & MOs

Info

ID:	71437
PubChem CID:	48414858
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	17.54
Dipole, Da:	3.95
IP(EA), eV:	-8.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-(2-ethoxyphenoxy)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCN(CC2)CCC#C)C

DOS

IR

Vibrations