Geometry & MOs

Info

ID:	441627
PubChem CID:	135237992
Reduced:	FO3N4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	522.226705
ΔH_f, kcal/mol:	-48.89
Dipole, Da:	4.72
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-cyanophenyl)-5-[3-methoxy-5-(prop-2-enoylamino)phenyl]pyrrolo[2,3-b]pyridin-1-yl]ethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COCC(=C)C(=O)NC1=CC(=CC(=C1)C2=CC3=C(NC=C3C4=CC(=NC=C4)F)N=C2)OC

DOS

IR

Vibrations