Geometry & MOs

Info

ID:	254448
PubChem CID:	103125346
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	332.02727
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	4.28
IP(EA), eV:	-8.65(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-ethylpyrazol-3-yl)-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCC(C1)CN2C=CNC2=O

DOS

IR

Vibrations