Geometry & MOs

Info

ID:	333964
PubChem CID:	127252516
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	2.93
Dipole, Da:	8.75
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCC(=O)N2)C3=NC(=CC(=N3)NC4=CC=CC=C4)C5=CC=NC=C5

DOS

IR

Vibrations