Geometry & MOs

Info

ID:	280375
PubChem CID:	103848764
Reduced:	FNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	1.52
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CSCC2=CC=C(C=C2)F)O

DOS

IR

Vibrations