Geometry & MOs

Info

ID:	365717
PubChem CID:	127318442
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	3.8
IP(EA), eV:	-8.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC=C(O2)C3=CC=C(C=C3)NC(=O)C4CC5CCC4O5

DOS

IR

Vibrations