Geometry & MOs

Info

ID:	149129
PubChem CID:	53788801
Reduced:	O4N5C35H43 (1)
Stoich.:	A4B5C35D43 (1)
Weight, g/mol:	424.152203
ΔH_f, kcal/mol:	-106.45
Dipole, Da:	8.19
IP(EA), eV:	-8.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-2,3-dimethoxy-6-(2-phenylethoxy)naphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)OC(C4=CC=CC=N4)C(=O)OCC)C=C(C=C2)NCC(=O)NC5CCCCC5

DOS

IR

Vibrations