Geometry & MOs

Info

ID:	448641
PubChem CID:	135292420
Reduced:	ON3C35H45 (1)
Stoich.:	AB3C35D45 (1)
Weight, g/mol:	444.407964
ΔH_f, kcal/mol:	6.75
Dipole, Da:	2.58
IP(EA), eV:	-8.38(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-4-[(11R)-3,7,11,15-tetramethylhexadecyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=NC(=C(C(=N2)CCCCCCCCCCOCC3=CC=CC=C3)CC4=CC=CC=C4)C)C

DOS

IR

Vibrations