Geometry & MOs

Info

ID:	46795
PubChem CID:	10527392
Reduced:	NPSO7C19H30 (1)
Stoich.:	ABCD7E19F30 (1)
Weight, g/mol:	447.204573
ΔH_f, kcal/mol:	-324.82
Dipole, Da:	3.81
IP(EA), eV:	-8.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S,10bR)-5-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-phenyl-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinoline

Drug info:

PubChemData

Smile

CCN(CC)C(C1=CC=CS1)/C(=C(\C(=O)OC)/P(=O)(OCC)OCC)/C(=O)OC

DOS

IR

Vibrations