Geometry & MOs

Info

ID:	371059
PubChem CID:	127342253
Reduced:	O3N6C15H22 (1)
Stoich.:	A3B6C15D22 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	-20.38
Dipole, Da:	5.97
IP(EA), eV:	-9.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-methylthiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations