Geometry & MOs

Info

ID:	326056
PubChem CID:	126686282
Reduced:	SN8C19H27 (1)
Stoich.:	AB8C19D27 (1)
Weight, g/mol:	218.178299
ΔH_f, kcal/mol:	127.93
Dipole, Da:	4.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.946013
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-aminobutylidene)cyclohexa-2,5-dien-1-ylidene]butan-1-amine

Drug info:

PubChemData

Smile

CCCC1=NC2=NC(=N[N+]2(C(=C1)C)C3C4CCC3CN(C4)C5=NC(=NS5)C)N

DOS

IR

Vibrations