Geometry & MOs

Info

ID:	438571
PubChem CID:	135228315
Reduced:	IN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	408.094223
ΔH_f, kcal/mol:	-70.86
Dipole, Da:	6.2
IP(EA), eV:	-8.82(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCOCI)N

DOS

IR

Vibrations