Geometry & MOs

Info

ID:	212464
PubChem CID:	81060600
Reduced:	BrN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	68.6
Dipole, Da:	2.85
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-cyano-2,6-dimethylpyridin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations