Geometry & MOs

Info

ID:	251087
PubChem CID:	103101379
Reduced:	BrON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	3.84
IP(EA), eV:	-8.4(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-aminophenoxy)ethyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC=C1Br)N)CC(=O)N

DOS

IR

Vibrations