Geometry & MOs

Info

ID:	30595
PubChem CID:	841552
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	282.99564
ΔH_f, kcal/mol:	-10.25
Dipole, Da:	5.69
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(1,3-dimethylpyrazol-4-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CCC3

DOS

IR

Vibrations