Geometry & MOs

Info

ID:	368830
PubChem CID:	127330640
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-94.53
Dipole, Da:	4.52
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations