Geometry & MOs

Info

ID:	213648
PubChem CID:	81064487
Reduced:	ClN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-105.37
Dipole, Da:	4.68
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NCC(C)CC(=O)O)Cl)C

DOS

IR

Vibrations