Geometry & MOs

Info

ID:	207653
PubChem CID:	80433613
Reduced:	FON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	387.96089
ΔH_f, kcal/mol:	-56.89
Dipole, Da:	3.44
IP(EA), eV:	-9.28(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(4-bromophenyl)methyl]-5-(2-methylpropyl)-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC(C)CC1=NN(C(=O)C1)CC2=CC=C(C=C2)F

DOS

IR

Vibrations