Geometry & MOs

Info

ID:	71500
PubChem CID:	48414964
Reduced:	ClN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	-24.89
Dipole, Da:	3.92
IP(EA), eV:	-8.96(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-but-3-ynylpiperazine-1-carbonyl)-3-methyl-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations