Geometry & MOs

Info

ID:	334114
PubChem CID:	127252666
Reduced:	N3O7C24H27 (1)
Stoich.:	A3B7C24D27 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-229.09
Dipole, Da:	3.57
IP(EA), eV:	-8.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=C(C(=C3)OC)OCCO4)O

DOS

IR

Vibrations