Geometry & MOs

Info

ID:	197252
PubChem CID:	78942690
Reduced:	SN2O4C9H18 (1)
Stoich.:	AB2C4D9E18 (1)
Weight, g/mol:	322.040646
ΔH_f, kcal/mol:	-176.15
Dipole, Da:	2.17
IP(EA), eV:	-9.74(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylmorpholin-2-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCCCC1C(=O)OC

DOS

IR

Vibrations