Geometry & MOs

Info

ID:	179905
PubChem CID:	76552721
Reduced:	OSF3N3H18C23 (1)
Stoich.:	ABC3D3E18F23 (1)
Weight, g/mol:	488.180602
ΔH_f, kcal/mol:	-96.72
Dipole, Da:	4.07
IP(EA), eV:	-8.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C(F)(F)F)C)C=C3C(=O)N=C(S3)NC4=CC=CC=C4

DOS

IR

Vibrations