Geometry & MOs

Info

ID:	242287
PubChem CID:	96099819
Reduced:	FN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	2.04
Dipole, Da:	2.18
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1[C@H]3CCNC3)C(=CC=C2)F

DOS

IR

Vibrations