Geometry & MOs

Info

ID:	226512
PubChem CID:	87457732
Reduced:	ClO3N4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	462.10155
ΔH_f, kcal/mol:	1.42
Dipole, Da:	5.65
IP(EA), eV:	-8.59(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-amino-4-(1-butylpiperidin-4-yl)-8lambda3-ioda-2,5-dioxabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)N=C(N2)C3=C/C(=C/4\C=CC(=O)C(=C4)OC)/NNC3=O

DOS

IR

Vibrations