Geometry & MOs

Info

ID:	184234
PubChem CID:	77130980
Reduced:	ClFON2C8H10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	225.074956
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	3.42
IP(EA), eV:	-9.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2-diaminoethyl)-2-nitrobenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(CN)N)O)F)Cl

DOS

IR

Vibrations