Geometry & MOs

Info

ID:	129493
PubChem CID:	51072825
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	287.072449
ΔH_f, kcal/mol:	-170.67
Dipole, Da:	3.69
IP(EA), eV:	-9.83(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]butanoate

Drug info:

PubChemData

Smile

COC(=O)CCCNC(=O)CCC1CCCC1

DOS

IR

Vibrations