Geometry & MOs

Info

ID:	333554
PubChem CID:	127252106
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	360.169859
ΔH_f, kcal/mol:	49.55
Dipole, Da:	2.21
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations