Geometry & MOs

Info

ID:	277392
PubChem CID:	103828201
Reduced:	FN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	9.74
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C#N)C(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations