Geometry & MOs

Info

ID:	441626
PubChem CID:	135237879
Reduced:	PN5O5H26C27 (1)
Stoich.:	AB5C5D26E27 (1)
Weight, g/mol:	432.159769
ΔH_f, kcal/mol:	-140.06
Dipole, Da:	6.65
IP(EA), eV:	-8.9(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(2-fluoropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-2-(methoxymethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C2=CC3=C(N=C2)N(C=C3C4=CC=CC(=C4)C#N)COP(=O)(O)O

DOS

IR

Vibrations