Geometry & MOs

Info

ID:	417305
PubChem CID:	135091970
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	7.15
Dipole, Da:	7.4
IP(EA), eV:	-9.28(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CN=C(C=C3)C#N)C4=C1C=CS4

DOS

IR

Vibrations