Geometry & MOs

Info

ID:	275735
PubChem CID:	103817331
Reduced:	ClN3O5C12H14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	286.112899
ΔH_f, kcal/mol:	-113.82
Dipole, Da:	3.71
IP(EA), eV:	-10.2(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-N-(3-methylpentan-3-yl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C)C(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations