Geometry & MOs

Info

ID:	324355
PubChem CID:	126677493
Reduced:	NOSC23H41 (1)
Stoich.:	ABCD23E41 (1)
Weight, g/mol:	476.233602
ΔH_f, kcal/mol:	-45.17
Dipole, Da:	2.67
IP(EA), eV:	-9.38(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)C1NS1

DOS

IR

Vibrations