Geometry & MOs

Info

ID:	392042
PubChem CID:	135012149
Reduced:	O4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	405.230394
ΔH_f, kcal/mol:	-177.77
Dipole, Da:	4.21
IP(EA), eV:	-9.75(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S)-2-[[(1R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]-1-phenylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/O[C@@H]1CCCC[C@H]1CC=O

DOS

IR

Vibrations