Geometry & MOs

Info

ID:	410291
PubChem CID:	135083082
Reduced:	NO3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	610.88959
ΔH_f, kcal/mol:	-66.33
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.110921
Charge, e:	0

Chem-info

IUPAC name:

butanoyl-[(2,5-dimethoxyphenyl)methylidene]-propan-2-ylazanium;hexachloroantimony(1-)

Drug info:

PubChemData

Smile

CC(=O)[N+](=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C

DOS

IR

Vibrations