Geometry & MOs

Info

ID:	442563
PubChem CID:	135253054
Reduced:	ClO2F3N3H17C19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	506.229106
ΔH_f, kcal/mol:	-191.43
Dipole, Da:	8.04
IP(EA), eV:	-9.24(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl]pyridin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F)CCOC

DOS

IR

Vibrations