Geometry & MOs

Info

ID:	171543
PubChem CID:	75391778
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	367.210721
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	3.61
IP(EA), eV:	-8.8(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NOC(C1)CN2CCN(CC2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations