Geometry & MOs

Info

ID:	333538
PubChem CID:	127252090
Reduced:	FN6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	297.195346
ΔH_f, kcal/mol:	69.38
Dipole, Da:	4.3
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methylpyridin-2-yl)-4-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations