Geometry & MOs

Info

ID:	413554
PubChem CID:	135086503
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	222.05782
ΔH_f, kcal/mol:	-166.24
Dipole, Da:	2.95
IP(EA), eV:	-10.2(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2,5-dichlorodec-4-en-3-one

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@@H]2[C@@H](OC(O2)(C)C)C#N)C

DOS

IR

Vibrations