Geometry & MOs

Info

ID:	258333
PubChem CID:	103153000
Reduced:	NCl2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-161.07
Dipole, Da:	8.46
IP(EA), eV:	-9.85(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-butylbenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)/C=C/C1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations