Geometry & MOs

Info

ID:	254062
PubChem CID:	103122468
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	273.04767
ΔH_f, kcal/mol:	14.39
Dipole, Da:	2.24
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CCBr)C(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations