Geometry & MOs

Info

ID:	305975
PubChem CID:	124976962
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	2.74
IP(EA), eV:	-9.17(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC[C@@H]1C2=NC(=CC(=N2)C3=NC=C(N3)C)C

DOS

IR

Vibrations