Geometry & MOs

Info

ID:	53219
PubChem CID:	14709811
Reduced:	O2C14H15 (2)
Stoich.:	A2B14C15 (2)
Weight, g/mol:	388.167459
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	7.41
IP(EA), eV:	-8.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-formylphenyl) 4-[4-(2-methylbutoxy)phenyl]benzoate

Drug info:

PubChemData

Smile

CCCCCC[C@@H](C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C=O

DOS

IR

Vibrations