Geometry & MOs

Info

ID:	159431
PubChem CID:	57280146
Reduced:	N5O5C35H37 (1)
Stoich.:	A5B5C35D37 (1)
Weight, g/mol:	488.401816
ΔH_f, kcal/mol:	-40.49
Dipole, Da:	3.03
IP(EA), eV:	-9.27(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dipropyl-4-tetradecylphenyl)-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCCC1=NC2=CC=CC=C2C(=C1OC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations