Geometry & MOs

Info

ID:	325588
PubChem CID:	126684099
Reduced:	N4O13C40H68 (1)
Stoich.:	A4B13C40D68 (1)
Weight, g/mol:	237.9967
ΔH_f, kcal/mol:	-404.33
Dipole, Da:	5.01
IP(EA), eV:	-7.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4Z)-6-iodohexa-2,4-dien-3-yl]hydrazine

Drug info:

Smile

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2C(C([C@@H]([C@H](O2)C)O)N(C)C)O)CCN=[N+]=[N-])C)\C)CCO[C@H]3C([C@H]([C@@H](C(O3)C)O)OC)OC

DOS

IR

Vibrations