Geometry & MOs

Info

ID:	432046
PubChem CID:	135172178
Reduced:	NS2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	312.288912
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	1.88
IP(EA), eV:	-9.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(2,5-dimethyl-5-piperazin-1-ylhexan-2-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

CC(C1CCNC1)SS

DOS

IR

Vibrations