Geometry & MOs

Info

ID:	217273
PubChem CID:	85087541
Reduced:	O5C20H28 (1)
Stoich.:	A5B20C28 (1)
Weight, g/mol:	348.172545
ΔH_f, kcal/mol:	-197.52
Dipole, Da:	8.16
IP(EA), eV:	-9.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-1,3-dimethyl-5-phenylmethoxy-3,4-dihydro-1H-benzo[g]isochromene

Drug info:

PubChemData

Smile

CC(C)C1CC(=O)C2=CC3(C(CC(=O)O3)(C(CC12C)O)C)C(=C)CO

DOS

IR

Vibrations