Geometry & MOs

Info

ID:	190187
PubChem CID:	77964455
Reduced:	NO4C18H35 (1)
Stoich.:	AB4C18D35 (1)
Weight, g/mol:	470.174117
ΔH_f, kcal/mol:	-238.34
Dipole, Da:	1.77
IP(EA), eV:	-9.35(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylcyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CCCCOCC1CC(CN1C(=O)OC(C)(C)C)OCCCC

DOS

IR

Vibrations