Geometry & MOs

Info

ID:	200650
PubChem CID:	79421813
Reduced:	BrFO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	283.204848
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	5.19
IP(EA), eV:	-9.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-cyclopentylpyrazol-3-yl)-2-(3-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CC2=C(C=CC(=C2)Br)F)C(=O)O

DOS

IR

Vibrations