Geometry & MOs

Info

ID:	326385
PubChem CID:	126687443
Reduced:	O2F3N6H31C33 (1)
Stoich.:	A2B3C6D31E33 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	4.06
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,7a-diol

Drug info:

PubChemData

Smile

CC1C=C2CN=C(C2C3=C1C=CC(=C3)C)NC(=O)NC(C)CC4=CC=C(C=C4)C5=NN(C=N5)C6=CC=C(C=C6)OC(F)(F)F

DOS

IR

Vibrations