Geometry & MOs

Info

ID:	290429
PubChem CID:	104498354
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	296.038627
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	3.7
IP(EA), eV:	-8.39(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[1-(5-chlorothiophen-2-yl)ethylamino]benzoic acid

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)N2CCC(C2)C(C)C)OC

DOS

IR

Vibrations