Geometry & MOs

Info

ID:	332893
PubChem CID:	127251317
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	406.191738
ΔH_f, kcal/mol:	4.77
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)pyridin-2-yl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCC(C1)C2=NC(=CC(=C2)NC3=NC=CC=N3)C

DOS

IR

Vibrations