Geometry & MOs

Info

ID:	231910
PubChem CID:	87574891
Reduced:	NCl3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	413.888899
ΔH_f, kcal/mol:	-106.18
Dipole, Da:	5.88
IP(EA), eV:	-9.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1COCC1OC2=CC=C(C=C2)C(C=O)(C3=CC(=C(C=C3)Cl)Cl)N.Cl

DOS

IR

Vibrations