Geometry & MOs

Info

ID:	297806
PubChem CID:	117632379
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	292.074702
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	6.78
IP(EA), eV:	-8.19(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)CC(C)C)N3CCCNC(=O)C3=C2

DOS

IR

Vibrations