Geometry & MOs

Info

ID:	85040
PubChem CID:	49871437
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	68.92
Dipole, Da:	3.69
IP(EA), eV:	-8.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S,3S)-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isochromen-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3)C

DOS

IR

Vibrations