Geometry & MOs

Info

ID:	222400
PubChem CID:	85297377
Reduced:	NO3C27H37 (1)
Stoich.:	AB3C27D37 (1)
Weight, g/mol:	423.211086
ΔH_f, kcal/mol:	-119.45
Dipole, Da:	5.87
IP(EA), eV:	-9.34(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3a-(hydroxymethyl)-7-(methoxymethoxy)-1-(2-trimethylsilylethylsulfonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-4-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CCC=C(C(CCC(=CC(=O)C(CC1)C(C)C(=O)NCC2=CC=CC=C2)C)O)C

DOS

IR

Vibrations