Geometry & MOs

Info

ID:	386688
PubChem CID:	134982541
Reduced:	PO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	611.179035
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	4.95
IP(EA), eV:	-9.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS,10aR,10bR)-6a-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2,3,4,10a,10b-hexahydropyrido[1,2-b]isoindol-6-one;carbon monoxide;iron

Drug info:

PubChemData

Smile

CC(=O)OCCCC/C=C\CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations