Geometry & MOs

Info

ID:	71712
PubChem CID:	48415247
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-41.65
Dipole, Da:	4.73
IP(EA), eV:	-8.75(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-naphthalen-1-yloxybutan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)COCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations