Geometry & MOs

Info

ID:	384343
PubChem CID:	134976815
Reduced:	BrH19C28 (1)
Stoich.:	AB19C28 (1)
Weight, g/mol:	276.187801
ΔH_f, kcal/mol:	172.9
Dipole, Da:	2.36
IP(EA), eV:	-8.48(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-undec-4-en-1-ynyl]naphthalene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C=C=C(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations