Geometry & MOs

Info

ID:	128273
PubChem CID:	51037298
Reduced:	HIC2 (1)
Stoich.:	ABC2 (1)
Weight, g/mol:	502.258006
ΔH_f, kcal/mol:	74.47
Dipole, Da:	0.0
IP(EA), eV:	-10.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] 2-aminoacetate

Drug info:

PubChemData

Smile

C#C[131I]

DOS

IR

Vibrations