Geometry & MOs

Info

ID:	272330
PubChem CID:	103739837
Reduced:	ClN2O2F3H8C9 (1)
Stoich.:	AB2C2D3E8F9 (1)
Weight, g/mol:	257.056719
ΔH_f, kcal/mol:	-211.05
Dipole, Da:	4.93
IP(EA), eV:	-9.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-methyl-5-nitro-N-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Cl)NC(=O)COCC(F)(F)F

DOS

IR

Vibrations