Geometry & MOs

Info

ID:	30004
PubChem CID:	838849
Reduced:	BrON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	314.00548
ΔH_f, kcal/mol:	53.09
Dipole, Da:	1.23
IP(EA), eV:	-9.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CC=N2)C3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations