Geometry & MOs

Info

ID:	368558
PubChem CID:	127329461
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-174.38
Dipole, Da:	2.39
IP(EA), eV:	-9.12(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-[2-(oxan-4-yl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)CC3CCOCC3

DOS

IR

Vibrations