Geometry & MOs

Info

ID:	318452
PubChem CID:	126651420
Reduced:	BrN2O3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	409.296737
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	6.11
IP(EA), eV:	-9.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-(4H-imidazol-2-ylmethyl)-7-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-2-oxa-7-azoniaspiro[3.5]nonane

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Br)OCC3=NC(=CN32)C(=O)O

DOS

IR

Vibrations