Geometry & MOs

Info

ID:	45628
PubChem CID:	10515801
Reduced:	NO2F4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	265.157898
ΔH_f, kcal/mol:	-245.13
Dipole, Da:	2.2
IP(EA), eV:	-9.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-N-phenylpropane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1/C=C/CO)OCC(C(F)F)(F)F

DOS

IR

Vibrations