Geometry & MOs

Info

ID:	413339
PubChem CID:	135086287
Reduced:	ON2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	340.08993
ΔH_f, kcal/mol:	2.24
Dipole, Da:	5.39
IP(EA), eV:	-8.36(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butoxy-2-iodoethoxy)hept-1-ene

Drug info:

PubChemData

Smile

CCC1C=CC(=O)N2C1C3=C(CC2)C4=CC=CC=C4N3

DOS

IR

Vibrations