Geometry & MOs

Info

ID:	285825
PubChem CID:	104133922
Reduced:	BrClOSN3C13H13 (1)
Stoich.:	ABCDE3F13G13 (1)
Weight, g/mol:	292.109089
ΔH_f, kcal/mol:	18.08
Dipole, Da:	4.58
IP(EA), eV:	-9.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-(1-methylpyrazol-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=C1)C(=O)NC2=NC=C(S2)Br)Cl

DOS

IR

Vibrations