Geometry & MOs

Info

ID:	333591
PubChem CID:	127252143
Reduced:	O2F3N5C20H22 (1)
Stoich.:	A2B3C5D20E22 (1)
Weight, g/mol:	335.185844
ΔH_f, kcal/mol:	-182.16
Dipole, Da:	4.04
IP(EA), eV:	-9.45(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-N-(5-methylpyridin-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CC(=C3)C(F)(F)F)C(=O)C4CCOCC4

DOS

IR

Vibrations