Geometry & MOs

Info

ID:	48594
PubChem CID:	11109323
Reduced:	OC20H42 (1)
Stoich.:	AB20C42 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-145.05
Dipole, Da:	2.18
IP(EA), eV:	-10.31(2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO

DOS

IR

Vibrations