Geometry & MOs

Info

ID:	361435
PubChem CID:	127303414
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-125.08
Dipole, Da:	1.92
IP(EA), eV:	-8.66(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylmorpholin-4-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CCCN2C(=O)CCN3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations