Geometry & MOs

Info

ID:	352952
PubChem CID:	127284043
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	264.144948
ΔH_f, kcal/mol:	-15.59
Dipole, Da:	1.34
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)C)CC(=O)N3CCN(CC3)CC4=CC=CS4

DOS

IR

Vibrations