Geometry & MOs

Info

ID:	254131
PubChem CID:	103122909
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	273.04767
ΔH_f, kcal/mol:	26.11
Dipole, Da:	1.98
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1(CCl)NC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations