Geometry & MOs

Info

ID:	66245
PubChem CID:	46500621
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	352.097855
ΔH_f, kcal/mol:	-34.01
Dipole, Da:	0.7
IP(EA), eV:	-7.9(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C

DOS

IR

Vibrations