Geometry & MOs

Info

ID:	65324
PubChem CID:	29214648
Reduced:	FOSN4C19H25 (1)
Stoich.:	ABCD4E19F25 (1)
Weight, g/mol:	334.262028
ΔH_f, kcal/mol:	-41.81
Dipole, Da:	1.98
IP(EA), eV:	-8.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations