Geometry & MOs

Info

ID:	213179
PubChem CID:	81063124
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-159.84
Dipole, Da:	3.19
IP(EA), eV:	-9.51(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations