Geometry & MOs

Info

ID:	277719
PubChem CID:	103830560
Reduced:	BrNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	280.97999
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	4.61
IP(EA), eV:	-9.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-(1H-pyrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

C1CC2CC1CN2C(=O)C3=CC(=C(C=C3)Br)O

DOS

IR

Vibrations