Geometry & MOs

Info

ID:	276823
PubChem CID:	103825407
Reduced:	FN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	302.107813
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	5.09
IP(EA), eV:	-10.08(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CN=C(C=C1)F

DOS

IR

Vibrations