Geometry & MOs

Info

ID:	443689
PubChem CID:	135259769
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	393.278013
ΔH_f, kcal/mol:	-48.23
Dipole, Da:	6.62
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[(2S,6R)-4-benzyl-2,6-dimethylpiperazin-1-yl]methyl]phenyl]methyl]morpholine

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC=C2)C)C(C)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations