Geometry & MOs

Info

ID:	442012
PubChem CID:	135247880
Reduced:	O6C33H44 (1)
Stoich.:	A6B33C44 (1)
Weight, g/mol:	264.99636
ΔH_f, kcal/mol:	-155.18
Dipole, Da:	3.53
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-ethyl-2-hydroxy-6-iodohex-3-enenitrile

Drug info:

PubChemData

Smile

CCCCCC1=C(C=C(C=C1)C2CC3=C(C=C2)C(=CC(=C3)OCCOOC(=C)CO)OCCC(=C)CO)CC

DOS

IR

Vibrations