Geometry & MOs

Info

ID:	332897
PubChem CID:	127251321
Reduced:	FN4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	405.163474
ΔH_f, kcal/mol:	20.46
Dipole, Da:	4.43
IP(EA), eV:	-8.65(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoropyridin-2-yl)-2-methyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)CC3CC3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations