Geometry & MOs

Info

ID:	365740
PubChem CID:	127318465
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-136.46
Dipole, Da:	3.77
IP(EA), eV:	-8.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=CC(=N2)OC)NC(=O)C3CC4CCC3O4

DOS

IR

Vibrations