Geometry & MOs

Info

ID:	120843
PubChem CID:	50746917
Reduced:	N3O4H21C24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	-25.69
Dipole, Da:	2.77
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations