Geometry & MOs

Info

ID:	254268
PubChem CID:	103123840
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	305.069494
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	1.99
IP(EA), eV:	-9.27(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2CCOC2)C3CCNCC3

DOS

IR

Vibrations