Geometry & MOs

Info

ID:	19423
PubChem CID:	563367
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-182.21
Dipole, Da:	2.54
IP(EA), eV:	-9.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-(2-methoxy-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CC1CC2CCCCC2CN1C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations