Geometry & MOs

Info

ID:	149614
PubChem CID:	53789288
Reduced:	OPN2S2C8H17 (1)
Stoich.:	ABC2D2E8F17 (1)
Weight, g/mol:	301.251798
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	6.14
IP(EA), eV:	-8.94(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-8-(4-pentylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

Drug info:

PubChemData

Smile

CC=CNC=NP(=S)(OC(C)C)SC

DOS

IR

Vibrations