Geometry & MOs

Info

ID:	145780
PubChem CID:	53592047
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	341.130633
ΔH_f, kcal/mol:	-97.77
Dipole, Da:	2.88
IP(EA), eV:	-8.97(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]-N-cyclopentylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3CCOC3)OC

DOS

IR

Vibrations