Geometry & MOs

Info

ID:	441692
PubChem CID:	135240814
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	455.218206
ΔH_f, kcal/mol:	44.99
Dipole, Da:	4.33
IP(EA), eV:	-8.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyridin-2-yl]-3-methylpiperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CN2C=NC=C2C(=N1)N3CCC(CC3)(C)N

DOS

IR

Vibrations