Geometry & MOs

Info

ID:	212479
PubChem CID:	81060633
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	363.04048
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	6.0
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(CCO)C2CCCCC2

DOS

IR

Vibrations