Geometry & MOs

Info

ID:	197236
PubChem CID:	78939650
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	4.36
IP(EA), eV:	-9.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(4-tert-butylpiperazin-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1N(C)CC(=O)NC)O

DOS

IR

Vibrations