Geometry & MOs

Info

ID:	333576
PubChem CID:	127252128
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	21.18
Dipole, Da:	4.19
IP(EA), eV:	-8.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)N2CCC(C2)C3=NC(=NC=C3)NC4=NC=CN=C4

DOS

IR

Vibrations