Geometry & MOs

Info

ID:	178490
PubChem CID:	76336147
Reduced:	NO5C30H33 (1)
Stoich.:	AB5C30D33 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	-128.14
Dipole, Da:	3.85
IP(EA), eV:	-8.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(diethylamino)butoxy]-5-hydroxy-7-methoxy-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCCCOC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations