Geometry & MOs

Info

ID:	275724
PubChem CID:	103817263
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	3.32
Dipole, Da:	4.5
IP(EA), eV:	-9.4(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azaspiro[5.5]undecan-3-yl-(5-chloropyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations