Geometry & MOs

Info

ID:	381474
PubChem CID:	134972225
Reduced:	O5C31H34 (1)
Stoich.:	A5B31C34 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-103.11
Dipole, Da:	1.91
IP(EA), eV:	-9.25(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-anilino-2-(butylamino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@H](OC1[C@@H](C#C)O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations