Geometry & MOs

Info

ID:	242259
PubChem CID:	96099433
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-16.04
Dipole, Da:	3.23
IP(EA), eV:	-9.08(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)[C@H]2CCCN2C(=O)[C@@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations