Geometry & MOs

Info

ID:	305679
PubChem CID:	124965333
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	45.34
Dipole, Da:	3.57
IP(EA), eV:	-9.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoropyridin-2-yl)-4-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=CC=NN2)C(=O)CN3C=NC4=CC=CC=C43

DOS

IR

Vibrations