Geometry & MOs

Info

ID:	384052
PubChem CID:	134976250
Reduced:	ClFH2C6 (1)
Stoich.:	ABC2D6 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	84.36
Dipole, Da:	2.47
IP(EA), eV:	-9.98(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-(methoxymethoxy)-3-phenyl-3H-1,2-benzoxazole

Drug info:

PubChemData

Smile

C1=CC(=C(C#C1)F)Cl

DOS

IR

Vibrations