Geometry & MOs

Info

ID:	146525
PubChem CID:	53699872
Reduced:	PO4N6C11H17 (1)
Stoich.:	AB4C6D11E17 (1)
Weight, g/mol:	219.1987
ΔH_f, kcal/mol:	-148.46
Dipole, Da:	2.26
IP(EA), eV:	-8.77(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylhexyl)-3-methylaniline

Drug info:

PubChemData

Smile

CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(N)O)O

DOS

IR

Vibrations