Geometry & MOs

Info

ID:	333536
PubChem CID:	127252088
Reduced:	N5C14H17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	350.165523
ΔH_f, kcal/mol:	70.97
Dipole, Da:	3.55
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(C1)C2=NC(=NC=C2)NC3=CC=CC=N3

DOS

IR

Vibrations