Geometry & MOs

Info

ID:	71581
PubChem CID:	48415072
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	3.37
IP(EA), eV:	-8.6(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations