Geometry & MOs

Info

ID:	299500
PubChem CID:	117687036
Reduced:	FON5H14C21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	62.87
Dipole, Da:	6.02
IP(EA), eV:	-8.83(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N=CC(=O)N2CC3=C(C=C(C=C3)C4=CN5C=NC=C5C=C4)F

DOS

IR

Vibrations