Geometry & MOs

Info

ID:	166796
PubChem CID:	74734927
Reduced:	F3N3C17H18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	402.179322
ΔH_f, kcal/mol:	-97.66
Dipole, Da:	3.27
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-(furan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(F)(F)F)C)C3CC(C=C3)N

DOS

IR

Vibrations