Geometry & MOs

Info

ID:	324238
PubChem CID:	126677209
Reduced:	NPC15H28 (1)
Stoich.:	ABC15D28 (1)
Weight, g/mol:	447.181901
ΔH_f, kcal/mol:	0.68
Dipole, Da:	1.16
IP(EA), eV:	-8.08(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(2-cyano-6-fluorophenyl)-5-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-4-yl]pyrazol-3-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1CC(C1C(C(C)C)NPC#CC)CC

DOS

IR

Vibrations