Geometry & MOs

Info

ID:	30052
PubChem CID:	839364
Reduced:	NOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	277.006119
ΔH_f, kcal/mol:	21.42
Dipole, Da:	1.62
IP(EA), eV:	-8.93(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-5-methyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3C

DOS

IR

Vibrations