Geometry & MOs

Info

ID:	207645
PubChem CID:	80433065
Reduced:	N3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	295.03202
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	3.93
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2-methylpropyl)-2-pyridin-2-yl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1C(CN1C(=O)NC2=CC=CC3=C2C=NC=C3)C(=O)O

DOS

IR

Vibrations