Geometry & MOs

Info

ID:	242303
PubChem CID:	96099835
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	6.26
IP(EA), eV:	-8.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)[C@@H]3CCOC4=CC=CC=C34

DOS

IR

Vibrations