Geometry & MOs

Info

ID:	373517
PubChem CID:	131316426
Reduced:	OF2N2H6C8 (1)
Stoich.:	AB2C2D6E8 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-69.87
Dipole, Da:	6.5
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6,8-dimethyl-3,4-dihydro-1H-isochromen-7-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1F)F)C#N)N

DOS

IR

Vibrations