Geometry & MOs

Info

ID:	430695
PubChem CID:	135170761
Reduced:	BrNO3C4H4 (1)
Stoich.:	ABC3D4E4 (1)
Weight, g/mol:	412.215078
ΔH_f, kcal/mol:	-64.64
Dipole, Da:	1.85
IP(EA), eV:	-10.42(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[(5R)-3-[4-(8-methylquinolin-7-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]methanone

Drug info:

PubChemData

Smile

C1=C(C(N(C1=O)O)O)Br

DOS

IR

Vibrations