Geometry & MOs

Info

ID:	333577
PubChem CID:	127252129
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	27.97
Dipole, Da:	3.11
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations