Geometry & MOs

Info

ID:	378692
PubChem CID:	134224786
Reduced:	N3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	120.96
Dipole, Da:	1.85
IP(EA), eV:	-8.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-(2-methylbutyl)-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CN1CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=NN3C

DOS

IR

Vibrations