Geometry & MOs

Info

ID:	422435
PubChem CID:	135117829
Reduced:	SO2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	293.153955
ΔH_f, kcal/mol:	-6.23
Dipole, Da:	9.55
IP(EA), eV:	-9.46(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-fluoro-2-methoxyphenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CSC(=N3)C4=NC=CC=N4

DOS

IR

Vibrations