Geometry & MOs

Info

ID:	219373
PubChem CID:	85148331
Reduced:	N3O6C26H27 (1)
Stoich.:	A3B6C26D27 (1)
Weight, g/mol:	477.249154
ΔH_f, kcal/mol:	-207.19
Dipole, Da:	2.23
IP(EA), eV:	-8.47(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 1-O-ethyl 6-(diethoxyphosphoryloxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCC(=O)N3C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations