Geometry & MOs

Info

ID:	329698
PubChem CID:	127246565
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	4.63
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CCC3CCCCC3

DOS

IR

Vibrations