Geometry & MOs

Info

ID:	402920
PubChem CID:	135057883
Reduced:	FN3H18C19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	258.064057
ΔH_f, kcal/mol:	54.9
Dipole, Da:	5.19
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-nitrophenyl)-6,7-dihydro-5H-2,1-benzoxazol-4-one

Drug info:

PubChemData

Smile

CC(=CC1=C(C=CC(=C1)F)C2=CN(N=N2)CC3=CC=CC=C3)C

DOS

IR

Vibrations