Geometry & MOs

Info

ID:	328610
PubChem CID:	126725950
Reduced:	INO2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	300.04734
ΔH_f, kcal/mol:	-50.45
Dipole, Da:	3.29
IP(EA), eV:	-8.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-bromo-6-ethylpyridin-2-yl)methylamino]acetate

Drug info:

PubChemData

Smile

CCCC1(C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)I)CC(=O)OCC

DOS

IR

Vibrations