Geometry & MOs

Info

ID:	52433
PubChem CID:	12015296
Reduced:	NPO4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	373.144295
ΔH_f, kcal/mol:	-151.29
Dipole, Da:	2.81
IP(EA), eV:	-9.04(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-[4-(dimethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

COP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)OC

DOS

IR

Vibrations