Geometry & MOs

Info

ID:	188033
PubChem CID:	77658152
Reduced:	IO2N4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	631.08155
ΔH_f, kcal/mol:	-26.52
Dipole, Da:	7.75
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-amino-4-iodophenyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CC2C1NC(=C3C(=CC=NC3=O)I)N2)N4CCOCC4

DOS

IR

Vibrations