Geometry & MOs

Info

ID:	242301
PubChem CID:	96099833
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	37.84
Dipole, Da:	6.56
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-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

CC1=NC2=C(C=NN2C=C1)C(=O)N3CCC[C@H]3C4=NOC(=N4)C(C)C

DOS

IR

Vibrations