Geometry & MOs

Info

ID:	199475
PubChem CID:	79252306
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	288.092163
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	4.38
IP(EA), eV:	-9.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)NC(CO)C(C)C)C

DOS

IR

Vibrations