Geometry & MOs

Info

ID:	228669
PubChem CID:	87565515
Reduced:	F3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	111.104799
ΔH_f, kcal/mol:	-222.56
Dipole, Da:	4.07
IP(EA), eV:	-8.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-hepta-2,4-dien-1-amine

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F)OC

DOS

IR

Vibrations