Geometry & MOs

Info

ID:	22118
PubChem CID:	596024
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	-3.63
Dipole, Da:	3.58
IP(EA), eV:	-8.46(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2,5-dimethoxyphenyl)methylideneamino]pyrazole-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C=NNC(=O)N2C=C(C=N2)Br

DOS

IR

Vibrations