Geometry & MOs

Info

ID:	172345
PubChem CID:	75497197
Reduced:	FO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	340.128388
ΔH_f, kcal/mol:	-60.91
Dipole, Da:	3.99
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-3-phenylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1COC(=O)C2=CC(=CN=C2)F

DOS

IR

Vibrations