Geometry & MOs

Info

ID:	426071
PubChem CID:	135136342
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	126.115698
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	4.75
IP(EA), eV:	-8.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-hepta-2,4-diene-2,5-diamine

Drug info:

PubChemData

Smile

C1CCN(CC1)SNC2=CC3=C(C=C2)NC(=O)C34CCCC4

DOS

IR

Vibrations