Geometry & MOs

Info

ID:	252887
PubChem CID:	103114792
Reduced:	ClSO3N4H9C11 (1)
Stoich.:	ABC3D4E9F11 (1)
Weight, g/mol:	289.086269
ΔH_f, kcal/mol:	28.53
Dipole, Da:	5.23
IP(EA), eV:	-10.29(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=NN=C(S2)Cl

DOS

IR

Vibrations