Geometry & MOs

Info

ID:	324176
PubChem CID:	126677074
Reduced:	ClNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	379.233428
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	6.85
IP(EA), eV:	-8.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[3,5-diethyl-1-(3,3,3-trifluoropropanoyl)piperidin-2-yl]ethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)/C(=C/2\C=CC=C(N2)OC)/C=C1Cl

DOS

IR

Vibrations