Geometry & MOs

Info

ID:	420346
PubChem CID:	135112640
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	363.134969
ΔH_f, kcal/mol:	-2.37
Dipole, Da:	4.64
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2CCN(CC2)CC3=NC(=NO3)CSC)O

DOS

IR

Vibrations