Geometry & MOs

Info

ID:	135590
PubChem CID:	51897758
Reduced:	NO4C31H46 (1)
Stoich.:	AB4C31D46 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-167.28
Dipole, Da:	6.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756902
Charge, e:	0

Chem-info

IUPAC name:

1,2-oxazol-5-yl-[(3R)-3-phenylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CC[C@@]4(CCOC(C4)(C)C)C5=CC=C(C=C5)OC

DOS

IR

Vibrations