Geometry & MOs

Info

ID:	329723
PubChem CID:	127246590
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-36.51
Dipole, Da:	2.43
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CCC3=CC(=NO3)OC

DOS

IR

Vibrations