Geometry & MOs

Info

ID:	241028
PubChem CID:	93621247
Reduced:	ON5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	87.22
Dipole, Da:	8.01
IP(EA), eV:	-9.53(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=NC=C1)NC(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CC=C4

DOS

IR

Vibrations