Geometry & MOs

Info

ID:	164010
PubChem CID:	74381367
Reduced:	BrF3O3N4H22C25 (1)
Stoich.:	AB3C3D4E22F25 (1)
Weight, g/mol:	400.166604
ΔH_f, kcal/mol:	-167.27
Dipole, Da:	7.77
IP(EA), eV:	-9.33(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-3-[4-[2-(cyclopropylmethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)N4C5=C(C=CC=N5)N=C4C(F)(F)F)C(=O)O

DOS

IR

Vibrations