Geometry & MOs

Info

ID:	51792
PubChem CID:	12014534
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	330.110338
ΔH_f, kcal/mol:	-106.24
Dipole, Da:	2.44
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S)-9,10-dimethoxy-1-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)C[C@H](CC1=CC2=CC=CC=C2C=C1)O

DOS

IR

Vibrations