Geometry & MOs

Info

ID:	233867
PubChem CID:	92098556
Reduced:	ON3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	402.180424
ΔH_f, kcal/mol:	43.03
Dipole, Da:	4.29
IP(EA), eV:	-9.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-methyl-5-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3CCC(CC3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations