Geometry & MOs

Info

ID:	165590
PubChem CID:	74573066
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	217.145322
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	3.61
IP(EA), eV:	-8.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)ethyl-(pyridin-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC(C)C1=NC(=O)C2C(=CSC2=N1)C3=CC(=CC=C3)OC

DOS

IR

Vibrations