Geometry & MOs

Info

ID:	441167
PubChem CID:	135233398
Reduced:	SF2N6H10C16 (1)
Stoich.:	AB2C6D10E16 (1)
Weight, g/mol:	461.315461
ΔH_f, kcal/mol:	75.69
Dipole, Da:	3.04
IP(EA), eV:	-9.28(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]-2,2-dimethylcyclohexyl]-1H-indole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=C(N(C=N2)CC(F)F)C3=NN4C(=NC=C4C#N)C=C3

DOS

IR

Vibrations