Geometry & MOs

Info

ID:	66243
PubChem CID:	46500618
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-16.26
Dipole, Da:	4.39
IP(EA), eV:	-7.9(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4

DOS

IR

Vibrations