Geometry & MOs

Info

ID:	407420
PubChem CID:	135080049
Reduced:	N3H13C14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	292.063011
ΔH_f, kcal/mol:	124.95
Dipole, Da:	3.83
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(E)-(5-methylthiophen-2-yl)diazenyl]-4-nitroaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC#CC2=CN=CN=C2

DOS

IR

Vibrations