Geometry & MOs

Info

ID:	297168
PubChem CID:	117611386
Reduced:	ClON8C21H23 (1)
Stoich.:	ABC8D21E23 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	61.94
Dipole, Da:	5.27
IP(EA), eV:	-8.23(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5-amino-1,3-benzoxazol-2-yl)spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)N)NCCCNC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC

DOS

IR

Vibrations