Geometry & MOs

Info

ID:	38254
PubChem CID:	8028496
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	391.128054
ΔH_f, kcal/mol:	-126.85
Dipole, Da:	3.58
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-phenyl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4NC3=O

DOS

IR

Vibrations