Geometry & MOs

Info

ID:	150914
PubChem CID:	53790611
Reduced:	C5H8 (2)
Stoich.:	A5B8 (2)
Weight, g/mol:	424.26136
ΔH_f, kcal/mol:	-11.01
Dipole, Da:	0.52
IP(EA), eV:	-9.42(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-heptoxyphenyl) 4-hept-6-enoxybenzoate

Drug info:

PubChemData

Smile

C1CCC2CC=CC2CC1

DOS

IR

Vibrations