Geometry & MOs

Info

ID:	446053
PubChem CID:	135272055
Reduced:	NO2C41H63 (1)
Stoich.:	AB2C41D63 (1)
Weight, g/mol:	447.31373
ΔH_f, kcal/mol:	-138.24
Dipole, Da:	2.01
IP(EA), eV:	-9.26(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9-amino-3,7,8,8-tetramethylnonan-3-yl)-6-propylanthracene-9,10-dione

Drug info:

PubChemData

Smile

CCC(C)(C)C(C)CCCC(C)(CC)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C(C)(CC)CCCC(C)C(C)(C)CN

DOS

IR

Vibrations