Geometry & MOs

Info

ID:	444050
PubChem CID:	135261170
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	439.238353
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	5.18
IP(EA), eV:	-8.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-(dimethylamino)piperidin-1-yl]-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations