Geometry & MOs

Info

ID:	44777
PubChem CID:	10505884
Reduced:	O7H22C23 (1)
Stoich.:	A7B22C23 (1)
Weight, g/mol:	511.07428
ΔH_f, kcal/mol:	-179.33
Dipole, Da:	6.49
IP(EA), eV:	-8.97(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,12S)-3-bromo-4-methyl-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2OCC3=CC(=O)C=C(O3)COC4=CC=CC=C4OCCO1

DOS

IR

Vibrations