Geometry & MOs

Info

ID:	190952
PubChem CID:	78083751
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	310.225643
ΔH_f, kcal/mol:	-2.77
Dipole, Da:	2.67
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylmorpholin-4-yl)-[1-(oxan-4-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1NC(CC(=O)N1)C2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations