Geometry & MOs

Info

ID:	353707
PubChem CID:	127285284
Reduced:	FON3C21H28 (1)
Stoich.:	ABC3D21E28 (1)
Weight, g/mol:	343.205991
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	6.09
IP(EA), eV:	-9.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[[cyclobutyl-(4-fluorophenyl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCCCC1)C#N)NC(C2CCC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations