Geometry & MOs

Info

ID:	352972
PubChem CID:	127284063
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	3.08
IP(EA), eV:	-8.8(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpiperidin-2-yl)-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1CCCCN1CCNC(=O)C(C2=CC=CC=C2)N3CCC(CC3)O

DOS

IR

Vibrations