Geometry & MOs

Info

ID:	71407
PubChem CID:	48414802
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-60.69
Dipole, Da:	4.17
IP(EA), eV:	-8.86(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)chromen-2-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)OCCC

DOS

IR

Vibrations