Geometry & MOs

Info

ID:	50796
PubChem CID:	12013384
Reduced:	SiO3H9F12C18 (1)
Stoich.:	AB3C9D12E18 (1)
Weight, g/mol:	304.121178
ΔH_f, kcal/mol:	-728.57
Dipole, Da:	8.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.900602
Charge, e:	0

Chem-info

IUPAC name:

8-oxo-N-phenyl-7,9-dihydro-6H-pyrido[1,2-a]indole-9-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(O[Si-]23(C4=CC=CC=C4C(O3)(C(F)(F)F)C(F)(F)F)O)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations