Geometry & MOs

Info

ID:	134603
PubChem CID:	51723250
Reduced:	N2O2S2C10H11 (1)
Stoich.:	A2B2C2D10E11 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	5.58
Dipole, Da:	17.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.914228
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=C(S1)C=C(S2)C(=O)[O-]

DOS

IR

Vibrations