Geometry & MOs

Info

ID:	59267
PubChem CID:	24775858
Reduced:	ClNO2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	529.225308
ΔH_f, kcal/mol:	-31.12
Dipole, Da:	5.6
IP(EA), eV:	-8.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[(4-cyanophenyl)methyl]-6-(methoxymethoxy)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CN([C@@H](CC1=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3O

DOS

IR

Vibrations