Geometry & MOs

Info

ID:	136157
PubChem CID:	51987896
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	340.227654
ΔH_f, kcal/mol:	-80.36
Dipole, Da:	3.78
IP(EA), eV:	-8.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclohexyl-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)OCCC4=CC=CC=C4

DOS

IR

Vibrations