Geometry & MOs

Info

ID:	297163
PubChem CID:	117611231
Reduced:	FN4O4H17C21 (1)
Stoich.:	AB4C4D17E21 (1)
Weight, g/mol:	432.159769
ΔH_f, kcal/mol:	-54.6
Dipole, Da:	4.97
IP(EA), eV:	-9.22(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide

Drug info:

PubChemData

Smile

C1CC2(C1)CNC(=O)C3=CC4=C(N23)C=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)[N+](=O)[O-]

DOS

IR

Vibrations