Geometry & MOs

Info

ID:	373754
PubChem CID:	131319699
Reduced:	N3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	280.05751
ΔH_f, kcal/mol:	61.49
Dipole, Da:	3.84
IP(EA), eV:	-9.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[bromo(3-tricyclo[3.2.1.02,4]octanyl)methyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

CC1C/C(=C(\C#N)/C2=CN=CC=C2)/CCN1

DOS

IR

Vibrations