Geometry & MOs

Info

ID:	209309
PubChem CID:	80650169
Reduced:	SN3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	290.156518
ΔH_f, kcal/mol:	55.65
Dipole, Da:	1.97
IP(EA), eV:	-8.4(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[5-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyridin-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CN(C)C(CNCC1=CC=CC2=C1NCC2)C3=CC=CS3

DOS

IR

Vibrations