Geometry & MOs

Info

ID:	43979
PubChem CID:	10322656
Reduced:	Cl2O2N5C23H25 (1)
Stoich.:	A2B2C5D23E25 (1)
Weight, g/mol:	474.407296
ΔH_f, kcal/mol:	8.59
Dipole, Da:	6.04
IP(EA), eV:	-8.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pentoxyphenyl)ethyl octadecanoate

Drug info:

PubChemData

Smile

CN(C)CCCNC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3Cl)Cl)OC)C#N)OC

DOS

IR

Vibrations