Geometry & MOs

Info

ID:	212417
PubChem CID:	81060481
Reduced:	N2C7H7 (2)
Stoich.:	A2B7C7 (2)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	109.06
Dipole, Da:	4.85
IP(EA), eV:	-9.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(methoxymethyl)anilino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2C=CC(=N2)C3CC3

DOS

IR

Vibrations