Geometry & MOs

Info

ID:	393075
PubChem CID:	135019290
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-0.66
Dipole, Da:	1.99
IP(EA), eV:	-9.87(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R,10R)-2,10-dihydroxyundec-6-en-5-one

Drug info:

PubChemData

Smile

C[C@@](C#N)(C1=CC=CC=C1)C(C)(C)CC=O

DOS

IR

Vibrations