Geometry & MOs

Info

ID:	398031
PubChem CID:	135031448
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-82.57
Dipole, Da:	4.38
IP(EA), eV:	-8.92(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,6R)-8-methyl-2-phenyl-7-oxa-8-azabicyclo[4.2.1]nonane-2-carboxylate

Drug info:

PubChemData

Smile

CN1[C@@H]2[C@@H](CCC[C@@]2(C3=CC=CC=C3)C(=O)OC)CO1

DOS

IR

Vibrations