Geometry & MOs

Info

ID:	130283
PubChem CID:	51075498
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	287.072449
ΔH_f, kcal/mol:	-84.5
Dipole, Da:	4.21
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(5-chloro-2-fluorobenzoyl)-methylamino]butanoate

Drug info:

PubChemData

Smile

CN(CCCC(=O)OC)C(=O)C1=CC(=CC=C1)N2C=CC=C2

DOS

IR

Vibrations