Geometry & MOs

Info

ID:	342120
PubChem CID:	127264833
Reduced:	FN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-69.52
Dipole, Da:	1.97
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

Drug info:

PubChemData

Smile

C1C(CN1C(=O)CCC2=C(NC3=C2C=C(C=C3)F)C4=CC=CC=C4)CO

DOS

IR

Vibrations