Geometry & MOs

Info

ID:	148489
PubChem CID:	53788152
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	211.96976
ΔH_f, kcal/mol:	42.93
Dipole, Da:	8.39
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-(1H-pyrazol-5-yl)pyrazole

Drug info:

PubChemData

Smile

CC1CCCN(C1=O)C2=C(C=C(C=C2)CN3C=NC=C3OC4=CC=C(C=C4)[N+]#[C-])C

DOS

IR

Vibrations