Geometry & MOs

Info

ID:	396995
PubChem CID:	135029563
Reduced:	OF3N3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	4.0
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,10Z)-4-hydroxy-4-methyltrideca-2,10-dienenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(CN)(C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations