Geometry & MOs

Info

ID:	179023
PubChem CID:	76422023
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	-42.14
Dipole, Da:	5.58
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC2=NC(=C(C=C2C1)C#N)N3CCC(C(C3)O)N4CCOCC4

DOS

IR

Vibrations