Geometry & MOs

Info

ID:	9864
PubChem CID:	94063
Reduced:	NO3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	416.194737
ΔH_f, kcal/mol:	-135.55
Dipole, Da:	7.04
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-2-[(2,4,6-tripropoxyphenyl)methylideneamino]phenol

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C(=C1)OCCC)C=NC2=C(C=CC(=C2)[N+](=O)[O-])O)OCCC

DOS

IR

Vibrations