Geometry & MOs

Info

ID:	58421
PubChem CID:	24698334
Reduced:	BrNC16H16 (1)
Stoich.:	ABC16D16 (1)
Weight, g/mol:	209.098669
ΔH_f, kcal/mol:	38.88
Dipole, Da:	0.96
IP(EA), eV:	-8.96(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylpropylamino)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(C3=CC=C(C=C3)Br)N

DOS

IR

Vibrations