Geometry & MOs

Info

ID:	30055
PubChem CID:	839373
Reduced:	NO5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	328.097855
ΔH_f, kcal/mol:	-118.29
Dipole, Da:	6.6
IP(EA), eV:	-8.9(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)OC(=N2)COC3=CC=CC=C3)OC

DOS

IR

Vibrations