Geometry & MOs

Info

ID:	430461
PubChem CID:	135170525
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	361.069255
ΔH_f, kcal/mol:	-160.66
Dipole, Da:	2.4
IP(EA), eV:	-9.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]methyl]-2-methyl-4-oxocyclopent-2-en-1-yl] propanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC(N(C1=O)C)OC(=O)OC

DOS

IR

Vibrations