Geometry & MOs

Info

ID:	414614
PubChem CID:	135087573
Reduced:	O6N7C33H47 (1)
Stoich.:	A6B7C33D47 (1)
Weight, g/mol:	317.153955
ΔH_f, kcal/mol:	-237.04
Dipole, Da:	10.82
IP(EA), eV:	-9.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-1H-indol-2-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)CCN2C(=C(C(=N2)C)C(=O)C)C)CC3=CC=CC=C3)C)C(C)C

DOS

IR

Vibrations