Geometry & MOs

Info

ID:	28323
PubChem CID:	827037
Reduced:	SN3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	241.134088
ΔH_f, kcal/mol:	86.42
Dipole, Da:	4.75
IP(EA), eV:	-8.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-1-methylpyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)C#N

DOS

IR

Vibrations