Geometry & MOs

Info

ID:	271125
PubChem CID:	103644436
Reduced:	BrClON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	327.97265
ΔH_f, kcal/mol:	12.86
Dipole, Da:	5.61
IP(EA), eV:	-10.19(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#N)NC(=O)C1=C(N=CC(=C1)Br)Cl

DOS

IR

Vibrations