Geometry & MOs

Info

ID:	319390
PubChem CID:	126655848
Reduced:	NO2H25C30 (1)
Stoich.:	AB2C25D30 (1)
Weight, g/mol:	341.177964
ΔH_f, kcal/mol:	13.61
Dipole, Da:	3.33
IP(EA), eV:	-9.16(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-4-(2-methylphenyl)-2-phenyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C3C(=CC(=C2)C4=C(C=C(C=C4C)C)C)N=C(C(=O)O3)C5=CC=CC=C5

DOS

IR

Vibrations