Geometry & MOs

Info

ID:	335101
PubChem CID:	127253907
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	2.14
IP(EA), eV:	-9.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCN3C=NC4=CC=CC=C4C3=O)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations