Geometry & MOs

Info

ID:	134235
PubChem CID:	51666159
Reduced:	SN3O5C26H35 (1)
Stoich.:	AB3C5D26E35 (1)
Weight, g/mol:	180.102454
ΔH_f, kcal/mol:	-161.97
Dipole, Da:	5.48
IP(EA), eV:	-8.54(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium

Drug info:

PubChemData

Smile

C[C@]1(C[C@@]2([C@@H]([C@@H]([C@@H]1C(=O)OCC=C)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC=C)NC(=S)NN2)O

DOS

IR

Vibrations