Geometry & MOs

Info

ID:	383734
PubChem CID:	134975620
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	245.998113
ΔH_f, kcal/mol:	-103.93
Dipole, Da:	8.83
IP(EA), eV:	-10.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4,4,4-trichloro-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC1(C)COC(C)C)C#N

DOS

IR

Vibrations