Geometry & MOs

Info

ID:	217172
PubChem CID:	85087369
Reduced:	FO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	6.83
IP(EA), eV:	-8.24(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy-[1-(1H-imidazol-5-yl)propan-2-ylamino]-phenylmethyl]benzene-1,4-diol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC2CNCC(=C3C=CC(=O)C(=C3)OC)N2

DOS

IR

Vibrations