Geometry & MOs

Info

ID:	66263
PubChem CID:	46501231
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	320.148455
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	2.11
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-(2-nitroanilino)-4-oxobutan-2-ylidene]amino]pentanamide

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C(=O)NC1=C(C=CC(=C1)OC)OC)/CC(=O)NCCC2=CC=CC=C2

DOS

IR

Vibrations