Geometry & MOs

Info

ID:	147755
PubChem CID:	53787413
Reduced:	N5O7C31H33 (1)
Stoich.:	A5B7C31D33 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-222.09
Dipole, Da:	6.29
IP(EA), eV:	-9.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-aminophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)NCC(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations