Geometry & MOs

Info

ID:	385868
PubChem CID:	134980173
Reduced:	NaO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	247.23
ΔH_f, kcal/mol:	-90.63
Dipole, Da:	6.78
IP(EA), eV:	-8.15(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-phenylethyl)octan-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CC3=C2C(=CC=C3)[C@]1(C)C(=O)[O-].[Na+]

DOS

IR

Vibrations