Geometry & MOs

Info

ID:	430052
PubChem CID:	135170109
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	301.196569
ΔH_f, kcal/mol:	-0.07
Dipole, Da:	3.48
IP(EA), eV:	-8.63(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-difluoropyrrolidin-1-yl)-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol

Drug info:

PubChemData

Smile

CN1CCC(=CC1)[C@@H]2CCCN2C3C(O3)SC

DOS

IR

Vibrations