Geometry & MOs

Info

ID:	30463
PubChem CID:	841368
Reduced:	BrON4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	284.970796
ΔH_f, kcal/mol:	54.71
Dipole, Da:	1.79
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-nitrophenyl)-(4-chloropyrazol-1-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C=NNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations