Geometry & MOs

Info

ID:	437870
PubChem CID:	135227209
Reduced:	PS2O7C25H40 (2)
Stoich.:	AB2C7D25E40 (2)
Weight, g/mol:	408.256549
ΔH_f, kcal/mol:	-725.77
Dipole, Da:	3.23
IP(EA), eV:	-8.41(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-naphthalen-1-ylpyridin-2-yl)ethyl]-2,6-di(propan-2-yl)aniline

Drug info:

PubChemData

Smile

CCOP(=O)(C1(C2CC(S1)(C=C2)CCCCCCCCCCC34CC(C=C3)C(S4)(P(=O)(OCC)OCC)SCCCC(=O)OCCOC(=O)C(=C)C)SCCCC(=O)OCCOC(=O)C(=C)C)OCC

DOS

IR

Vibrations