Geometry & MOs

Info

ID:	146733
PubChem CID:	53740065
Reduced:	NO3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	248.225249
ΔH_f, kcal/mol:	39.46
Dipole, Da:	3.46
IP(EA), eV:	-9.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-di(pentan-3-yl)benzene-1,4-diamine

Drug info:

PubChemData

Smile

CC(=CCON1C(=O)C2=CC=CC=C2C1=O)C#CC3=CC=CC=C3

DOS

IR

Vibrations