Geometry & MOs

Info

ID:	305904
PubChem CID:	124973879
Reduced:	FO3N4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	-114.32
Dipole, Da:	1.91
IP(EA), eV:	-8.74(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C[C@@]2(CN(CCO2)CC3=CN=CC=C3)COC4=CC=C(C=C4)F

DOS

IR

Vibrations