Geometry & MOs

Info

ID:	317940
PubChem CID:	126647846
Reduced:	O2N11C27H35 (1)
Stoich.:	A2B11C27D35 (1)
Weight, g/mol:	361.87769
ΔH_f, kcal/mol:	80.65
Dipole, Da:	2.61
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-iodo-2-[[(E)-2-iodobut-2-enylidene]amino]ethenamine

Drug info:

PubChemData

Smile

C/C(=C\N(CC1CNCCO1)N=C)/NC2=NC(=NC=N2)N3CCN(CC3)C4=NC=C(C=N4)C(C5=CC=CC=C5)O

DOS

IR

Vibrations