Geometry & MOs

Info

ID:	446907
PubChem CID:	135278715
Reduced:	OF2N7C28H35 (1)
Stoich.:	AB2C7D28E35 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-13.89
Dipole, Da:	3.03
IP(EA), eV:	-7.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-(aminomethyl)-3-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)pyridin-2-yl]oxyphenyl]methanamine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)/C(=C/C=C(/NC2=C(C(=NC=N2)OC3=C(C4=C(C=C3)N(C(=C4)C)C(C)C)F)F)\N=C)/C

DOS

IR

Vibrations