Geometry & MOs

Info

ID:	218058
PubChem CID:	85088803
Reduced:	SiO4N6C18H31 (1)
Stoich.:	AB4C6D18E31 (1)
Weight, g/mol:	424.318875
ΔH_f, kcal/mol:	-122.32
Dipole, Da:	2.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.893877
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-[2-(8a-hydroxy-1,2,5,5-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl)ethyl]-6-methyldioxan-3-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)C(C)(C)[Si](C)(C)OCC1C(CC(O1)[N+]2=CC(=C)C(=O)N(C2=O)N)N=[N+]=[N-]

DOS

IR

Vibrations