Geometry & MOs

Info

ID:	150072
PubChem CID:	53789758
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	515.37633
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	5.51
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-(4-cyanophenyl)ethyl]-2-cyclohexyl-3-tridecan-4-ylphenyl] formate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CCC(=O)O

DOS

IR

Vibrations