Geometry & MOs

Info

ID:	258358
PubChem CID:	103153170
Reduced:	NO4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	319.037813
ΔH_f, kcal/mol:	-198.95
Dipole, Da:	3.78
IP(EA), eV:	-9.95(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)C(=O)NCC(CC(=O)O)OC)C

DOS

IR

Vibrations