Geometry & MOs

Info

ID:	217186
PubChem CID:	85087396
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	341.153955
ΔH_f, kcal/mol:	-41.12
Dipole, Da:	3.15
IP(EA), eV:	-8.6(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[hydroxy-[1-(1H-imidazol-5-yl)propan-2-ylamino]-phenylmethyl]phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(C(=O)OC)N=[N+]=[N-])OCC2=CC=CC=C2

DOS

IR

Vibrations