Geometry & MOs

Info

ID:	449015
PubChem CID:	135295203
Reduced:	ON2C15H17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	17.06
Dipole, Da:	8.13
IP(EA), eV:	-8.5(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[3-(3,5-dimethylcyclohepta-2,4,6-trien-1-yl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2,3,5-trimethyl-3H-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3CC4(CCCCC4)C)C5=CC=C(C=C5)C6(CC6)C(=O)N)N=C2

DOS

IR

Vibrations