Geometry & MOs

Info

ID:	85042
PubChem CID:	49871442
Reduced:	N2O5C25H32 (1)
Stoich.:	A2B5C25D32 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-162.84
Dipole, Da:	4.67
IP(EA), eV:	-8.45(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC(=C(C=C2[C@@H](O1)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)OC)OC

DOS

IR

Vibrations