Geometry & MOs

Info

ID:	342639
PubChem CID:	127265799
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	320.084017
ΔH_f, kcal/mol:	-11.52
Dipole, Da:	8.04
IP(EA), eV:	-8.53(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-tert-butyltriazol-4-yl)-1-chloroethenyl]-5-fluoro-1,3-benzoxazole

Drug info:

PubChemData

Smile

CN(CCOC)C1=NC=C(C=C1)C=CC2=NC=CC(=O)N2

DOS

IR

Vibrations