Geometry & MOs

Info

ID:	276400
PubChem CID:	103823021
Reduced:	O2S2N3C11H21 (1)
Stoich.:	A2B2C3D11E21 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-80.78
Dipole, Da:	5.73
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methoxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C(C)NCCCNS(=O)(=O)C

DOS

IR

Vibrations