Geometry & MOs

Info

ID:	415572
PubChem CID:	135088568
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	2.59
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)CCCN1C[C@H]([C@H](C1)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations