Geometry & MOs

Info

ID:	71719
PubChem CID:	48415256
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	66.88
Dipole, Da:	3.07
IP(EA), eV:	-8.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)CCC#C)C(C)(C)C

DOS

IR

Vibrations