Geometry & MOs

Info

ID:	212497
PubChem CID:	81060737
Reduced:	BrSN3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	75.62
Dipole, Da:	4.31
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CC2=CC(=CS2)Br

DOS

IR

Vibrations