Geometry & MOs

Info

ID:	319379
PubChem CID:	126655830
Reduced:	NOCl2H19C23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	379.11392
ΔH_f, kcal/mol:	22.73
Dipole, Da:	2.07
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-7-(2-chloro-6-fluorophenyl)-2-phenyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1)N=C(O2)C3=CC=CC=C3)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations