Geometry & MOs

Info

ID:	233843
PubChem CID:	92098532
Reduced:	ClO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	406.155352
ΔH_f, kcal/mol:	9.96
Dipole, Da:	3.0
IP(EA), eV:	-9.68(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C=CC2=CC=CC=C2Cl)OC3=NC=CN=C3C#N

DOS

IR

Vibrations