Geometry & MOs

Info

ID:	171390
PubChem CID:	75371569
Reduced:	IF2N5C16H22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	321.045109
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	3.85
IP(EA), eV:	-9.04(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=NC)NCCC2=NC=CN2C(F)F.I

DOS

IR

Vibrations