Geometry & MOs

Info

ID:	149600
PubChem CID:	53789274
Reduced:	Br2N2O4C15H16 (1)
Stoich.:	A2B2C4D15E16 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-74.78
Dipole, Da:	7.34
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-amino-6-(5-methoxy-1H-indol-3-yl)hexyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-2,5,9,12-tetraene-3,5-diol

Drug info:

PubChemData

Smile

CC1(C(C1(CC2=C(NC(=O)N2)O)C=C(Br)Br)(CC#C)C(=O)O)C

DOS

IR

Vibrations