Geometry & MOs

Info

ID:	27035
PubChem CID:	813075
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	4.37
IP(EA), eV:	-8.91(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)NC(=O)CC1=CC=C(C=C1)OC

DOS

IR

Vibrations