Geometry & MOs

Info

ID:	333556
PubChem CID:	127252108
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	64.03
Dipole, Da:	2.29
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CN=C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations