Geometry & MOs

Info

ID:	293667
PubChem CID:	117395607
Reduced:	BrO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	257.077596
ΔH_f, kcal/mol:	-60.71
Dipole, Da:	4.33
IP(EA), eV:	-9.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)CC2(CC2)O)Br)O

DOS

IR

Vibrations