Geometry & MOs

Info

ID:	254123
PubChem CID:	103122857
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	273.04767
ΔH_f, kcal/mol:	-0.62
Dipole, Da:	4.12
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CBr)N(C)C(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations