Geometry & MOs

Info

ID:	376654
PubChem CID:	134222677
Reduced:	N2C53H60 (1)
Stoich.:	A2B53C60 (1)
Weight, g/mol:	546.303499
ΔH_f, kcal/mol:	62.91
Dipole, Da:	1.74
IP(EA), eV:	-7.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1-N,1-N,4-N,4-N-tetrakis(3-methylphenyl)naphthalene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C(=C1)N(C3=CC=C(C=C3)C4CCCCC4)C5=CC=C(C=C5)C(C)C)N(C6=CC=C(C=C6)C7CCCCC7)C8=CC=C(C=C8)C(C)C

DOS

IR

Vibrations