Geometry & MOs

Info

ID:	238676
PubChem CID:	92765047
Reduced:	S2O3N4C24H32 (1)
Stoich.:	A2B3C4D24E32 (1)
Weight, g/mol:	247.204848
ΔH_f, kcal/mol:	-70.73
Dipole, Da:	7.96
IP(EA), eV:	-8.65(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-phenyl-N-(2-piperazin-1-ylethyl)propan-1-amine

Drug info:

PubChemData

Smile

C[C@H]1CSC2=C(C=C(C=C2)S(=O)(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)NC1=O

DOS

IR

Vibrations