Geometry & MOs

Info

ID:	262273
PubChem CID:	103281396
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-21.11
Dipole, Da:	7.53
IP(EA), eV:	-9.01(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-piperidin-3-yl-1,5,6,7-tetrahydrotriazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CNC1=C(C2=NCCC(N2N1)C3=CC=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations