Geometry & MOs

Info

ID:	70935
PubChem CID:	48414066
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	5.09
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OCC3=C(ON=C3C)C)OC

DOS

IR

Vibrations