Geometry & MOs

Info

ID:	381574
PubChem CID:	134972353
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	1.07
IP(EA), eV:	-8.35(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-3-(2-methoxyethylamino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)NCCCC

DOS

IR

Vibrations