Geometry & MOs

Info

ID:	30369
PubChem CID:	841205
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-33.35
Dipole, Da:	3.96
IP(EA), eV:	-9.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNC(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations