Geometry & MOs

Info

ID:	307445
PubChem CID:	125299960
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	329.094646
ΔH_f, kcal/mol:	-82.49
Dipole, Da:	2.81
IP(EA), eV:	-8.89(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-7H-triazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)CN1CCN(CC1)[C@@H](C2=C3C=C(C=CC3=NC2)OCC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations