Geometry & MOs

Info

ID:	417864
PubChem CID:	135102935
Reduced:	ClNO4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	347.140055
ΔH_f, kcal/mol:	-129.51
Dipole, Da:	7.79
IP(EA), eV:	-9.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)CC3=CC=CC=C3Cl)C(=O)O)C(=O)O

DOS

IR

Vibrations