Geometry & MOs

Info

ID:	371669
PubChem CID:	131270260
Reduced:	NSF4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-167.36
Dipole, Da:	5.46
IP(EA), eV:	-8.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-2,5-dimethylbenzoyl cyanide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)N)SC(=C2C(F)(F)F)F

DOS

IR

Vibrations