Geometry & MOs

Info

ID:	185171
PubChem CID:	77265197
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	484.197377
ΔH_f, kcal/mol:	-60.15
Dipole, Da:	3.94
IP(EA), eV:	-9.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-2-cyclohexyl-1-oxopropan-2-yl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)CC2C1C(NO2)C(CC3=CC=C(C=C3)F)C#N

DOS

IR

Vibrations