Geometry & MOs

Info

ID:	147615
PubChem CID:	53787271
Reduced:	SN4O5C14H20 (1)
Stoich.:	AB4C5D14E20 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-143.8
Dipole, Da:	6.92
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydroxyphenyl)ethylamino]-1-phenylethanone

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCC(C(=O)ON3C(=CC=C3O)O)N)NC(=O)N2

DOS

IR

Vibrations