Geometry & MOs

Info

ID:	447557
PubChem CID:	135283834
Reduced:	BrF2N3O4H16C19 (1)
Stoich.:	AB2C3D4E16F19 (1)
Weight, g/mol:	344.163711
ΔH_f, kcal/mol:	-200.27
Dipole, Da:	6.46
IP(EA), eV:	-9.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methyl-4-(1-phenylethoxy)-7H-pyrrolo[2,3-c]pyridin-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=CN(C2=N1)C(=O)OC(C)(C)C)Br)C3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations