Geometry & MOs

Info

ID:	411676
PubChem CID:	135084510
Reduced:	BrNO3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	325.204179
ΔH_f, kcal/mol:	-85.12
Dipole, Da:	3.75
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[(2R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C2=C(N1)C=CC(=C2)Br)C=O

DOS

IR

Vibrations