Geometry & MOs

Info

ID:	306285
PubChem CID:	125003564
Reduced:	N7C19H23 (1)
Stoich.:	A7B19C23 (1)
Weight, g/mol:	366.149204
ΔH_f, kcal/mol:	111.23
Dipole, Da:	5.77
IP(EA), eV:	-8.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCC[C@H](C2)C3=CC(=NC=C3)NC4=NC=CC=N4

DOS

IR

Vibrations