Geometry & MOs

Info

ID:	254074
PubChem CID:	103122523
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	285.04767
ΔH_f, kcal/mol:	0.58
Dipole, Da:	6.91
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N3CCCC3CCCBr

DOS

IR

Vibrations