Geometry & MOs

Info

ID:	333572
PubChem CID:	127252124
Reduced:	O2N6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	314.149124
ΔH_f, kcal/mol:	4.88
Dipole, Da:	2.48
IP(EA), eV:	-9.27(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(=O)N1CCC(C1)C2=NC(=NC=C2)NC3=NC=CC=N3

DOS

IR

Vibrations