Geometry & MOs

Info

ID:	419815
PubChem CID:	135109182
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	409.233857
ΔH_f, kcal/mol:	-124.9
Dipole, Da:	5.82
IP(EA), eV:	-9.29(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1H-imidazol-5-ylmethyl)-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-N,N-dimethylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)CN2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations