Geometry & MOs

Info

ID:	327188
PubChem CID:	126689178
Reduced:	FO2N5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	540.190989
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	3.71
IP(EA), eV:	-8.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[cyano(dipyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)N1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=C(N=C(C=C4)OCCCN(C)C)F

DOS

IR

Vibrations