Geometry & MOs

Info

ID:	443120
PubChem CID:	135257764
Reduced:	N2O2C25H30 (1)
Stoich.:	A2B2C25D30 (1)
Weight, g/mol:	514.187955
ΔH_f, kcal/mol:	-55.6
Dipole, Da:	8.17
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[(5-cyclohexylpyridin-2-yl)methyl-(2,2,2-trifluoroacetyl)amino]-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations