Geometry & MOs

Info

ID:	136177
PubChem CID:	51991718
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	398.212004
ΔH_f, kcal/mol:	-121.82
Dipole, Da:	4.83
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-2-hydroxy-2-phenylethyl]-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC2=C(C=CC=C2OC)CNC[C@H]3CCCO3

DOS

IR

Vibrations