Geometry & MOs

Info

ID:	45494
PubChem CID:	10514177
Reduced:	OF3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	240.052841
ΔH_f, kcal/mol:	-148.11
Dipole, Da:	7.17
IP(EA), eV:	-9.29(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-(diaminomethylideneamino)-(2-methoxy-2-oxoethylidene)azanium;methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C=C/C(=O)C(F)(F)F

DOS

IR

Vibrations