Geometry & MOs

Info

ID:	333551
PubChem CID:	127252103
Reduced:	F3N6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	333.170194
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	4.27
IP(EA), eV:	-9.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylpyridin-2-yl)-4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CC(=C3)C(F)(F)F)CC4=CN=CC=C4

DOS

IR

Vibrations