Geometry & MOs

Info

ID:	157589
PubChem CID:	56435904
Reduced:	OF2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-108.65
Dipole, Da:	4.69
IP(EA), eV:	-8.84(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-3-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)F)F)C(C)(C)C

DOS

IR

Vibrations