Geometry & MOs

Info

ID:	192205
PubChem CID:	78244365
Reduced:	FNO4C21H26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	410.172939
ΔH_f, kcal/mol:	-140.01
Dipole, Da:	5.0
IP(EA), eV:	-8.61(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenoxy)-7-[(3-methoxyphenyl)methoxy]-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

C1CC2C(CC1OC(=O)CCCCCN)OC=C(C2=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations