Geometry & MOs

Info

ID:	180813
PubChem CID:	76689532
Reduced:	ClSN2O2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	421.113
ΔH_f, kcal/mol:	-24.92
Dipole, Da:	2.89
IP(EA), eV:	-8.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(2,2-dimethylpropyl)-2-(5-methyl-3H-pyrazol-3-id-2-yl)pyridine;iridium

Drug info:

PubChemData

Smile

CC1=C(C2C(N1CC(=O)C)CCCC2=NO)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations