Geometry & MOs

Info

ID:	307059
PubChem CID:	125267421
Reduced:	FON5C19H22 (1)
Stoich.:	ABC5D19E22 (1)
Weight, g/mol:	320.04986
ΔH_f, kcal/mol:	2.21
Dipole, Da:	12.04
IP(EA), eV:	-8.07(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(2-chlorophenyl)methyl]-5-methyl-2-methylsulfanyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCCC\1=NN(C(=O)/C1=C(\C)/NCCC2=NC=NC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations