Geometry & MOs

Info

ID:	363144
PubChem CID:	127310177
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-148.06
Dipole, Da:	1.19
IP(EA), eV:	-9.1(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-4-yl-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CCS(=O)(=O)C3CCCC3

DOS

IR

Vibrations