Geometry & MOs

Info

ID:	443948
PubChem CID:	135260703
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	425.222703
ΔH_f, kcal/mol:	-5.63
Dipole, Da:	6.89
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-[(dimethylamino)methyl]azetidin-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=C2C(=CC=C1)NC(=NC2=O)N3CCCNCC3

DOS

IR

Vibrations