Geometry & MOs

Info

ID:	294574
PubChem CID:	117471322
Reduced:	ClNC18H26 (1)
Stoich.:	ABC18D26 (1)
Weight, g/mol:	290.96189
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	1.25
IP(EA), eV:	-8.84(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-2,3,4-trifluorophenyl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(C=C(C=C2)CC3CCCCN3)Cl

DOS

IR

Vibrations