Geometry & MOs

Info

ID:	27716
PubChem CID:	823248
Reduced:	OSN5H13C16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	308.02727
ΔH_f, kcal/mol:	94.72
Dipole, Da:	5.82
IP(EA), eV:	-9.3(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N4C(=NN=N4)N(C3=O)C5=CC=CC=C5

DOS

IR

Vibrations