Geometry & MOs

Info

ID:	178489
PubChem CID:	76336146
Reduced:	NPO4C6H12 (1)
Stoich.:	ABC4D6E12 (1)
Weight, g/mol:	487.235873
ΔH_f, kcal/mol:	-232.09
Dipole, Da:	5.77
IP(EA), eV:	-10.48(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(diethylamino)butoxy]-5-hydroxy-2-phenyl-7-phenylmethoxychromen-4-one

Drug info:

PubChemData

Smile

C1CP(=O)(CCC1(C(=O)O)N)O

DOS

IR

Vibrations