Geometry & MOs

Info

ID:	384511
PubChem CID:	134977128
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	322.19328
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	1.64
IP(EA), eV:	-8.95(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butoxy-4-[2-(4-butoxyphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C=C=C)C)OC(=O)C)C

DOS

IR

Vibrations