Geometry & MOs

Info

ID:	129379
PubChem CID:	51072441
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	303.108228
ΔH_f, kcal/mol:	-142.18
Dipole, Da:	5.26
IP(EA), eV:	-9.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoate

Drug info:

PubChemData

Smile

COC(=O)CCCNC(=O)CC1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations