Geometry & MOs

Info

ID:	353706
PubChem CID:	127285283
Reduced:	F2O2N3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	357.221641
ΔH_f, kcal/mol:	-160.89
Dipole, Da:	7.56
IP(EA), eV:	-9.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=C(C=CC=C2F)F)CC(=O)N3CCNC(=O)C3

DOS

IR

Vibrations