Geometry & MOs

Info

ID:	317377
PubChem CID:	126636935
Reduced:	NCl2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	409.127169
ΔH_f, kcal/mol:	-15.04
Dipole, Da:	3.34
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)oxan-3-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)Cl)Cl)N2CCCCC2

DOS

IR

Vibrations