Geometry & MOs

Info

ID:	179881
PubChem CID:	76549419
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	649.207367
ΔH_f, kcal/mol:	-60.05
Dipole, Da:	5.78
IP(EA), eV:	-9.7(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-[[[4-[6-[2-[3-(methylcarbamoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-1,3-benzoxazol-2-yl]phenyl]diazenyl]methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC=CCN1C(C(OC1=O)C2=CC=CC=C2)C

DOS

IR

Vibrations