Geometry & MOs

Info

ID:	448646
PubChem CID:	135292454
Reduced:	ClO3N4F5H16C20 (1)
Stoich.:	AB3C4D5E16F20 (1)
Weight, g/mol:	416.376664
ΔH_f, kcal/mol:	-287.45
Dipole, Da:	2.01
IP(EA), eV:	-9.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,15-dimethylhexadecyl)-1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol

Drug info:

PubChemData

Smile

CN1C(=C(C(=C1Cl)C(=O)C(=O)NC2(CCC2)C(F)(F)F)F)C(NC3=CC(=C(C=C3)F)C#N)O

DOS

IR

Vibrations