Geometry & MOs

Info

ID:	448982
PubChem CID:	135294974
Reduced:	NC20H22 (2)
Stoich.:	AB20C22 (2)
Weight, g/mol:	324.138639
ΔH_f, kcal/mol:	103.67
Dipole, Da:	3.18
IP(EA), eV:	-8.62(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CCC(=C)C1=CC=C(C=C1)/C(=C/C(C)C(C2=CC=CC=C2)C3=CC=CC=N3)/C4=NC=C(C=C4C)C(=C(C)C)/C(=C\C)/C

DOS

IR

Vibrations