Geometry & MOs

Info

ID:	207303
PubChem CID:	80373902
Reduced:	O3N5C7H11 (1)
Stoich.:	A3B5C7D11 (1)
Weight, g/mol:	192.101111
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	6.58
IP(EA), eV:	-10.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azabicyclo[2.2.1]heptan-2-yl(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C(C)NC(=O)C1=NNN=N1

DOS

IR

Vibrations