Geometry & MOs

Info

ID:	306262
PubChem CID:	125003386
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	371.103669
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	5.39
IP(EA), eV:	-8.73(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN(C[C@]1(CCN(C1)C2=CC=CC=N2)O)C(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations