Geometry & MOs

Info

ID:	160488
PubChem CID:	57309836
Reduced:	NF3O4H10C11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	150.115698
ΔH_f, kcal/mol:	-235.21
Dipole, Da:	7.3
IP(EA), eV:	-10.96(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-propylbutanedinitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations