Geometry & MOs

Info

ID:	172482
PubChem CID:	75514434
Reduced:	Cl2O3N4H10C12 (1)
Stoich.:	A2B3C4D10E12 (1)
Weight, g/mol:	420.156433
ΔH_f, kcal/mol:	6.93
Dipole, Da:	5.0
IP(EA), eV:	-9.97(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-benzoyl-1,4-diazabicyclo[3.2.1]octan-2-yl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)Cl)Cl)C(=O)C2=C(C=NN2)[N+](=O)[O-]

DOS

IR

Vibrations