Geometry & MOs

Info

ID:	233278
PubChem CID:	89449619
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-32.62
Dipole, Da:	7.45
IP(EA), eV:	-9.02(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-cyanophenyl)diazenyl]phenoxy]ethyl 2-methylbutanoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCOCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations