Geometry & MOs

Info

ID:	47785
PubChem CID:	10535271
Reduced:	O2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-29.15
Dipole, Da:	3.06
IP(EA), eV:	-9.7(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4-trimethyl-1,4-dihydroisochromene

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](O2)CO[C@@H]1C3=CC=CC=C3

DOS

IR

Vibrations