Geometry & MOs

Info

ID:	362012
PubChem CID:	127305365
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	5.39
IP(EA), eV:	-8.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-3-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)N2CCOC(C2)CN3C=CC=N3)C

DOS

IR

Vibrations