Geometry & MOs

Info

ID:	399272
PubChem CID:	135039289
Reduced:	NO3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	253.18305
ΔH_f, kcal/mol:	-150.9
Dipole, Da:	5.9
IP(EA), eV:	-9.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

CCOC(=O)C1([C@H]([C@@H]([C@H](N1)C2=CC=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations