Geometry & MOs

Info

ID:	145421
PubChem CID:	53521727
Reduced:	OSN4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	344.092083
ΔH_f, kcal/mol:	67.53
Dipole, Da:	3.45
IP(EA), eV:	-8.49(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-N'-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)CN3CCOC4=CC=CC=C43

DOS

IR

Vibrations