Geometry & MOs

Info

ID:	171335
PubChem CID:	75361832
Reduced:	SN5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	138.85
Dipole, Da:	5.79
IP(EA), eV:	-9.52(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(3-morpholin-4-ylpropyl)-6-oxo-N,1-diphenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCN2C(=NN=N2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations