Geometry & MOs

Info

ID:	297269
PubChem CID:	117614310
Reduced:	OF3N5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	466.222957
ΔH_f, kcal/mol:	-121.91
Dipole, Da:	9.26
IP(EA), eV:	-8.66(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-methylanilino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=CC=NC(=O)C3=C(N2)NC4=CC=C(C=C4)[C@H](C(F)(F)F)N

DOS

IR

Vibrations