Geometry & MOs

Info

ID:	178491
PubChem CID:	76336148
Reduced:	NO5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-157.29
Dipole, Da:	2.32
IP(EA), eV:	-8.64(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCCCOC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC

DOS

IR

Vibrations