Geometry & MOs

Info

ID:	418187
PubChem CID:	135103782
Reduced:	S2N3O3C17H23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	6.02
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)S(=O)(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4)C

DOS

IR

Vibrations