Geometry & MOs

Info

ID:	333545
PubChem CID:	127252097
Reduced:	ON6H18C19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	363.149538
ΔH_f, kcal/mol:	75.42
Dipole, Da:	3.37
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations