Geometry & MOs

Info

ID:	280108
PubChem CID:	103846931
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	352.93157
ΔH_f, kcal/mol:	-170.83
Dipole, Da:	4.13
IP(EA), eV:	-9.94(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-iodoanilino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1)CNC(=O)CCC(=O)O

DOS

IR

Vibrations