Geometry & MOs

Info

ID:	326404
PubChem CID:	126687483
Reduced:	INOC8H12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	152.131349
ΔH_f, kcal/mol:	9.59
Dipole, Da:	1.46
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC(=C(C1)NO)/C=C\CI

DOS

IR

Vibrations