Geometry & MOs

Info

ID:	187209
PubChem CID:	77543950
Reduced:	N2F3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	370.117209
ΔH_f, kcal/mol:	-258.22
Dipole, Da:	3.7
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolidin-4-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(CNCC(N1CCC2=CC=CC=C2C1C3=CC=CC=C3OC(F)(F)F)O)O

DOS

IR

Vibrations