Geometry & MOs

Info

ID:	442289
PubChem CID:	135251029
Reduced:	O3C22H26 (1)
Stoich.:	A3B22C26 (1)
Weight, g/mol:	487.146124
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	1.34
IP(EA), eV:	-8.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-chloro-2-(3-methylpyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1=C2C(=CC=C1)C(CO2)C3OC4=C(O3)C=C(C=C4)C(C)C

DOS

IR

Vibrations