Geometry & MOs

Info

ID:	144441
PubChem CID:	53368802
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	364.118985
ΔH_f, kcal/mol:	-17.37
Dipole, Da:	5.32
IP(EA), eV:	-8.29(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1)CCNC2=C(C(=O)C2=O)NCC3=CC=CO3

DOS

IR

Vibrations