Geometry & MOs

Info

ID:	53583
PubChem CID:	14716772
Reduced:	O6C41H48 (1)
Stoich.:	A6B41C48 (1)
Weight, g/mol:	466.271924
ΔH_f, kcal/mol:	-232.22
Dipole, Da:	5.11
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-butyl 4-O-[4-[4-(2-methylbutoxy)phenyl]phenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(C)C(=O)OCCCCC

DOS

IR

Vibrations