Geometry & MOs

Info

ID:	69655
PubChem CID:	47205092
Reduced:	ClFOSN3H9C13 (1)
Stoich.:	ABCDE3F9G13 (1)
Weight, g/mol:	260.09094
ΔH_f, kcal/mol:	-14.95
Dipole, Da:	4.37
IP(EA), eV:	-9.31(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-nitro-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)NCC3=CC=NN3

DOS

IR

Vibrations