Geometry & MOs

Info

ID:	198106
PubChem CID:	79048143
Reduced:	BrSO2N3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	202.121846
ΔH_f, kcal/mol:	-65.4
Dipole, Da:	4.4
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-ethylpyrazol-4-yl)-6-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NS(=O)(=O)CC2CCNCC2)Br

DOS

IR

Vibrations