Geometry & MOs

Info

ID:	38214
PubChem CID:	8028079
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	351.113153
ΔH_f, kcal/mol:	-166.13
Dipole, Da:	3.42
IP(EA), eV:	-9.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC[C@@H](C3=CC=CC=C3)O

DOS

IR

Vibrations