Geometry & MOs

Info

ID:	127614
PubChem CID:	51008401
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	-36.91
Dipole, Da:	1.8
IP(EA), eV:	-9.13(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4R,5S)-1-(1,3-dioxolan-2-yl)-2,4-dimethyl-3-phenylmethoxy-8-azabicyclo[3.2.1]oct-6-ene

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@H]1OC=C

DOS

IR

Vibrations