Geometry & MOs

Info

ID:	121935
PubChem CID:	50786779
Reduced:	FOSN4H15C19 (1)
Stoich.:	ABCD4E15F19 (1)
Weight, g/mol:	378.115047
ΔH_f, kcal/mol:	35.94
Dipole, Da:	3.17
IP(EA), eV:	-9.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-methoxyphenyl)methylsulfanyl]-2-(4-methylphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=C(C=C4)F

DOS

IR

Vibrations