Geometry & MOs

Info

ID:	426101
PubChem CID:	135137700
Reduced:	SN4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	310.204513
ΔH_f, kcal/mol:	94.82
Dipole, Da:	4.9
IP(EA), eV:	-8.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-1,4-dibenzyl-6-methylpiperazin-2-yl]methanol

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C3CCCN(C3)CC4=CC5=C(C=C4)SC=N5)N=CC=C2

DOS

IR

Vibrations