Geometry & MOs

Info

ID:	303568
PubChem CID:	124489913
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	425.07389
ΔH_f, kcal/mol:	-112.21
Dipole, Da:	3.44
IP(EA), eV:	-9.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[2-(4-bromoindol-1-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)[C@]23CCC(=O)N2C4=CC=CC=C4C(=O)N3C

DOS

IR

Vibrations