Geometry & MOs

Info

ID:	341448
PubChem CID:	127264141
Reduced:	ClN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	352.99305
ΔH_f, kcal/mol:	-31.52
Dipole, Da:	2.07
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromopyrazol-1-yl)-2-chloro-N-cyclobutylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2=NC(=CC(=N2)Cl)OC

DOS

IR

Vibrations