Geometry & MOs

Info

ID:	294745
PubChem CID:	117487515
Reduced:	ClO2N4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	302.01537
ΔH_f, kcal/mol:	14.82
Dipole, Da:	4.8
IP(EA), eV:	-9.65(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3,4-dimethoxy-2-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=CC(=C(C=C2)N3C=CN=C3)Cl

DOS

IR

Vibrations