Geometry & MOs

Info

ID:	218422
PubChem CID:	85089419
Reduced:	ON2C32H36 (1)
Stoich.:	AB2C32D36 (1)
Weight, g/mol:	464.295801
ΔH_f, kcal/mol:	81.18
Dipole, Da:	2.06
IP(EA), eV:	-7.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[tert-butyl(dimethyl)silyl]oxy-7-(8-hydroxy-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-5-oxohept-6-enoate

Drug info:

PubChemData

Smile

C1CC2C3C1CC4C3C(N2C5=CC=C(C=C5)CC6=CC=C(C=C6)NCC7=CC=C(C=C7)CO)CC4

DOS

IR

Vibrations