Geometry & MOs

Info

ID:	334772
PubChem CID:	127253447
Reduced:	O8H18C27 (1)
Stoich.:	A8B18C27 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-187.27
Dipole, Da:	8.03
IP(EA), eV:	-9.02(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-(2,3-dimethyl-1H-indole-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=COC6=C(C5=O)C=C(C=C6)OC

DOS

IR

Vibrations