Geometry & MOs

Info

ID:	306260
PubChem CID:	125003366
Reduced:	NC4H5 (5)
Stoich.:	AB4C5 (5)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	79.58
Dipole, Da:	0.83
IP(EA), eV:	-8.61(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CN2CCC[C@@H](CC2)CC3=NC=CN4C3=CC=C4

DOS

IR

Vibrations