Geometry & MOs

Info

ID:	213995
PubChem CID:	81065633
Reduced:	BrClNO4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	333.053463
ΔH_f, kcal/mol:	-168.14
Dipole, Da:	3.63
IP(EA), eV:	-9.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)COC1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations