Geometry & MOs

Info

ID:	159153
PubChem CID:	57261406
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	465.226371
ΔH_f, kcal/mol:	76.36
Dipole, Da:	5.74
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[2-hydroxy-2-(5-nitro-1,3-benzoxazol-2-yl)-4-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

CCNC1=C(ON=C1C2=CC=CC=C2)C3=CN=CC=C3

DOS

IR

Vibrations