Geometry & MOs

Info

ID:	319236
PubChem CID:	126655406
Reduced:	N2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	532.223432
ΔH_f, kcal/mol:	82.28
Dipole, Da:	6.0
IP(EA), eV:	-8.32(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(2S,5R)-5-hydroxy-2-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)C2=NN(C=C2)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations