Geometry & MOs

Info

ID:	134058
PubChem CID:	51635259
Reduced:	O3N5C23H39 (1)
Stoich.:	A3B5C23D39 (1)
Weight, g/mol:	426.19483
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	19.09
IP(EA), eV:	-6.55(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2S)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1=NC=CN1CC[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCN(CC3)C)O

DOS

IR

Vibrations