Geometry & MOs

Info

ID:	396427
PubChem CID:	135028404
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-210.51
Dipole, Da:	4.29
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(6,7-dimethoxy-6'-oxospiro[3,4-dihydroisoquinoline-1,3'-cyclohexa-1,4-diene]-2-yl)-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]2CC(=O)C=C[C@@]23C4=CC(=C(C=C4CCN3C1=O)OC)OC

DOS

IR

Vibrations