Geometry & MOs

Info

ID:	399204
PubChem CID:	135038680
Reduced:	O4C15H26 (1)
Stoich.:	A4B15C26 (1)
Weight, g/mol:	186.192172
ΔH_f, kcal/mol:	-210.16
Dipole, Da:	2.07
IP(EA), eV:	-9.9(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,1,1,2-tetradeuteriododec-2-en-4-one

Drug info:

PubChemData

Smile

CCC1(OCCO1)CCC/C=C/C(=O)OC(C)(C)C

DOS

IR

Vibrations