Geometry & MOs

Info

ID:	146011
PubChem CID:	53624072
Reduced:	F2O2N4H14C17 (1)
Stoich.:	A2B2C4D14E17 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	2.04
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CN(N=C2)CC(F)F)OC3=CN=CC=C3

DOS

IR

Vibrations