Geometry & MOs

Info

ID:	441632
PubChem CID:	135238073
Reduced:	ON6H18C23 (1)
Stoich.:	AB6C18D23 (1)
Weight, g/mol:	437.148789
ΔH_f, kcal/mol:	131.08
Dipole, Da:	7.52
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-cyanophenyl)-5-[5-(prop-2-enoylamino)pyridin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl acetate

Drug info:

PubChemData

Smile

CN1C=C(C2=C1N=CC(=C2)C3=CC(=CN=C3)N(C)C(=O)C=C)C4=CC(=NC=C4)C#N

DOS

IR

Vibrations