Geometry & MOs

Info

ID:	287889
PubChem CID:	104297530
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	345.02769
ΔH_f, kcal/mol:	81.41
Dipole, Da:	4.94
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-3-methylphenyl)-4-(2-fluorophenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NN(C(=C2C3=CC=CC=C3)N)C)Br

DOS

IR

Vibrations