Geometry & MOs

Info

ID:	441621
PubChem CID:	135237797
Reduced:	FON5C26H26 (1)
Stoich.:	ABC5D26E26 (1)
Weight, g/mol:	536.253589
ΔH_f, kcal/mol:	26.67
Dipole, Da:	5.08
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-cyanopyridin-4-yl)-5-[3-[4-(dimethylamino)but-2-enoylamino]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CNC3=C2C=C(C=N3)C4=CC(=C(C=C4)F)N(C)C(=O)/C=C/CN(C)C

DOS

IR

Vibrations