Geometry & MOs

Info

ID:	178492
PubChem CID:	76336149
Reduced:	N2O5C25H30 (1)
Stoich.:	A2B5C25D30 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	3.27
IP(EA), eV:	-8.24(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCCOC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)OC

DOS

IR

Vibrations