Geometry & MOs

Info

ID:	127522
PubChem CID:	51004844
Reduced:	N3O4C10H11 (1)
Stoich.:	A3B4C10D11 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	4.24
IP(EA), eV:	-9.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R,3R,5R)-3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C(=O)N2[C@H]3C[C@](N2C1=O)(C=C3)C(=O)OC

DOS

IR

Vibrations