Geometry & MOs

Info

ID:	134892
PubChem CID:	51775800
Reduced:	Cl2N2O5C21H24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	158.078131
ΔH_f, kcal/mol:	-224.96
Dipole, Da:	1.99
IP(EA), eV:	-9.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,4-difluoro-3-methylphenyl)methylazanium

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=C(C=C(C=C1O)O)O)N(C)C(=O)CC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations