Geometry & MOs

Info

ID:	443719
PubChem CID:	135259843
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	393.278013
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	7.35
IP(EA), eV:	-8.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[(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)CC3=CN=C(C=C3)C(=O)O

DOS

IR

Vibrations