Geometry & MOs

Info

ID:	342952
PubChem CID:	127266115
Reduced:	ClN2O3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	302.143056
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	2.97
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-cyclobutylidene-2-fluoroacetyl)amino]methyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCC[C@H](C2)N)OCC

DOS

IR

Vibrations