Geometry & MOs

Info

ID:	414412
PubChem CID:	135087370
Reduced:	OSN4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	6.84
Dipole, Da:	5.17
IP(EA), eV:	-8.47(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(CNC2=C(C=CC=N2)C(=O)N3CCCC3)N(C)C

DOS

IR

Vibrations