Geometry & MOs

Info

ID:	86510
PubChem CID:	49886431
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	263.98983
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	8.17
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-3-methylphenyl)-1H-pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C)C2=C(C=NN2)C=O

DOS

IR

Vibrations