Geometry & MOs

Info

ID:	387387
PubChem CID:	134985196
Reduced:	NO6C39H45 (1)
Stoich.:	AB6C39D45 (1)
Weight, g/mol:	316.117155
ΔH_f, kcal/mol:	-176.82
Dipole, Da:	3.69
IP(EA), eV:	-9.24(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-nitroanilino)diazenyl]-1-phenylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations