Geometry & MOs

Info

ID:	305892
PubChem CID:	124973408
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	6.3
Dipole, Da:	6.52
IP(EA), eV:	-8.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2CCC[C@H](C2)C3=CC(=NC=C3)NC

DOS

IR

Vibrations