Geometry & MOs

Info

ID:	333537
PubChem CID:	127252089
Reduced:	FN6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	350.165523
ΔH_f, kcal/mol:	67.25
Dipole, Da:	2.95
IP(EA), eV:	-9.02(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-pyrazin-2-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CC=N3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations