Geometry & MOs

Info

ID:	431406
PubChem CID:	135171481
Reduced:	BrOS2N4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	177.090212
ΔH_f, kcal/mol:	21.87
Dipole, Da:	2.56
IP(EA), eV:	-8.17(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methanimidoyl-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CSC1NC(=CN1C2=CSC(=N2)N3[C@@H]4CC[C@H]3COC4)Br

DOS

IR

Vibrations