Geometry & MOs

Info

ID:	407552
PubChem CID:	135080299
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	23.68
Dipole, Da:	2.97
IP(EA), eV:	-8.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-3-propan-2-yl-3,4-dihydroisochromen-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CC(=N2)C3=COC=C3

DOS

IR

Vibrations