Geometry & MOs

Info

ID:	159709
PubChem CID:	57288652
Reduced:	ON4H20C21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	311.079373
ΔH_f, kcal/mol:	52.07
Dipole, Da:	4.66
IP(EA), eV:	-8.06(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dihydroxypyrrol-1-yl) 3-phenoxybenzoate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)N)N(C13C=NC4=C(O3)C=CC5=C4C=NC=C5)C)C

DOS

IR

Vibrations