Geometry & MOs

Info

ID:	89819
PubChem CID:	49964834
Reduced:	FO6H23C27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	317.12498
ΔH_f, kcal/mol:	-220.79
Dipole, Da:	6.08
IP(EA), eV:	-8.57(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(2,4-dinitroanilino)phenyl]-trimethylazanium

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations