Geometry & MOs

Info

ID:	306113
PubChem CID:	125001665
Reduced:	O2N5C27H27 (1)
Stoich.:	A2B5C27D27 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	48.24
Dipole, Da:	4.06
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(2,5-dimethyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(C[C@H](C1)CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC(=CC=C4)OC5=NC=CC=N5

DOS

IR

Vibrations