Geometry & MOs

Info

ID:	423230
PubChem CID:	135119147
Reduced:	FO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-51.57
Dipole, Da:	5.72
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)F)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations