Geometry & MOs

Info

ID:	233844
PubChem CID:	92098533
Reduced:	FO2N6H19C21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	418.175339
ΔH_f, kcal/mol:	1.05
Dipole, Da:	6.85
IP(EA), eV:	-9.33(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)OC4=NC=CN=C4C#N

DOS

IR

Vibrations