Geometry & MOs

Info

ID:	54566
PubChem CID:	17388911
Reduced:	OSN6C21H22 (1)
Stoich.:	ABC6D21E22 (1)
Weight, g/mol:	405.134301
ΔH_f, kcal/mol:	85.3
Dipole, Da:	2.28
IP(EA), eV:	-8.17(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxy-1-benzofuran-3-yl]-(4-methylphenyl)methanone;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2NCC(O2)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

DOS

IR

Vibrations