Geometry & MOs

Info

ID:	236372
PubChem CID:	92712547
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	369.132471
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	1.99
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-methyl-5-[(4-methylphenoxy)methyl]-2-(3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN([C@@H](O2)C3=CC=C(C=C3)N(C)C)C(=O)C

DOS

IR

Vibrations