Geometry & MOs

Info

ID:	333575
PubChem CID:	127252127
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	24.29
Dipole, Da:	2.34
IP(EA), eV:	-8.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)N2CCC(C2)C3=NC(=NC=C3)NC4=NC=CC=N4

DOS

IR

Vibrations