Geometry & MOs

Info

ID:	201593
PubChem CID:	79561204
Reduced:	NC20H37 (1)
Stoich.:	AB20C37 (1)
Weight, g/mol:	270.089895
ΔH_f, kcal/mol:	-58.74
Dipole, Da:	1.63
IP(EA), eV:	-8.69(3.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2-methylsulfonylpropyl)tetrazolo[1,5-a]pyrazin-5-amine

Drug info:

PubChemData

Smile

CCCC1CCC(C(C1)CC2CC3CCC2C3)NCCC

DOS

IR

Vibrations