Geometry & MOs

Info

ID:	383940
PubChem CID:	134976010
Reduced:	LiOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	245.998113
ΔH_f, kcal/mol:	-77.46
Dipole, Da:	5.38
IP(EA), eV:	-7.63(2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4,4,4-trichloro-3-methylbutanoate

Drug info:

PubChemData

Smile

[Li+].CCC1CCCC=C1[O-]

DOS

IR

Vibrations