Geometry & MOs

Info

ID:	20572
PubChem CID:	584650
Reduced:	ClNO4H18C22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	395.092436
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	3.52
IP(EA), eV:	-8.81(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-(1,3-benzodioxol-5-ylmethyl)-C-[(4-chlorophenyl)methyl]carbonimidoyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CN=C(CC3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)O)O

DOS

IR

Vibrations