Geometry & MOs

Info

ID:	161687
PubChem CID:	57392329
Reduced:	ClNO4H20C25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	342.25588
ΔH_f, kcal/mol:	-72.46
Dipole, Da:	3.05
IP(EA), eV:	-9.6(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(4-octylphenyl)cyclohexylidene]acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations