Geometry & MOs

Info

ID:	314371
PubChem CID:	126621718
Reduced:	SN4H24C43 (1)
Stoich.:	AB4C24D43 (1)
Weight, g/mol:	237.220498
ΔH_f, kcal/mol:	232.82
Dipole, Da:	1.93
IP(EA), eV:	-8.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-N-ethenyl-1-N-(5-methylheptan-3-yl)-3-methyliminoprop-1-ene-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C(=NC(=N4)N5C6=CC=CC=C6C7=C5C=C8C(=C7)C=CC9=C8SC1=CC=CC=C91)C1=CN=CC=C1

DOS

IR

Vibrations