Geometry & MOs

Info

ID:	397814
PubChem CID:	135030776
Reduced:	ON4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	76.76
Dipole, Da:	2.44
IP(EA), eV:	-9.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-methoxyanilino)-3-nitrobutanoate

Drug info:

PubChemData

Smile

C1C(=NNC(=O)N1C2=CC=CC=C2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations