Geometry & MOs

Info

ID:	149612
PubChem CID:	53789286
Reduced:	NO3F6C27H29 (1)
Stoich.:	AB3C6D27E29 (1)
Weight, g/mol:	181.063997
ΔH_f, kcal/mol:	-411.87
Dipole, Da:	5.22
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylbenzene-1,2,3-tricarbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CCOCC=C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations