Geometry & MOs

Info

ID:	440917
PubChem CID:	135232204
Reduced:	N4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	282.178379
ΔH_f, kcal/mol:	53.77
Dipole, Da:	2.53
IP(EA), eV:	-8.14(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(2E,4E,6E)-3-fluoro-2,6-dimethylocta-2,4,6-trienylidene]-2,3-dihydro-1H-naphthalene

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2NC=C(N2)N

DOS

IR

Vibrations