Geometry & MOs

Info

ID:	444029
PubChem CID:	135261068
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	468.228517
ΔH_f, kcal/mol:	-46.62
Dipole, Da:	3.41
IP(EA), eV:	-8.48(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanoyl]-N,N-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)C[C@@H](C(=O)NC4CN(C4)C)N)F

DOS

IR

Vibrations