Geometry & MOs

Info

ID:	212565
PubChem CID:	81061024
Reduced:	BrN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	68.86
Dipole, Da:	5.31
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-cyano-2,6-dimethylpyridin-4-yl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations