Geometry & MOs

Info

ID:	355383
PubChem CID:	127288444
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	336.148078
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	3.72
IP(EA), eV:	-9.87(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CCC3=NC(=NO3)C(C)(C)C

DOS

IR

Vibrations