Geometry & MOs

Info

ID:	406423
PubChem CID:	135077533
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	321.89298
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	3.6
IP(EA), eV:	-9.42(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-bromo-1,1,1-trichloro-4-methoxyhept-3-en-2-one

Drug info:

PubChemData

Smile

C=CC[C@H]1C=CCC(=O)N1CC=C

DOS

IR

Vibrations