Geometry & MOs

Info

ID:	270493
PubChem CID:	103636864
Reduced:	O3N6C10H14 (1)
Stoich.:	A3B6C10D14 (1)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	-60.05
Dipole, Da:	5.37
IP(EA), eV:	-9.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC2=C(N(C(=O)NC2=O)C)N

DOS

IR

Vibrations