Geometry & MOs

Info

ID:	381815
PubChem CID:	134972649
Reduced:	NSiO6C27H41 (1)
Stoich.:	ABC6D27E41 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-214.42
Dipole, Da:	9.99
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,5S,8aS)-1,5,6-trimethyl-5-(3-oxobutyl)-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCOCC1=CC=C(C=C1)OC)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations