Geometry & MOs

Info

ID:	298125
PubChem CID:	117647643
Reduced:	OF2N3C32H33 (1)
Stoich.:	AB2C3D32E33 (1)
Weight, g/mol:	414.216809
ΔH_f, kcal/mol:	-70.08
Dipole, Da:	2.25
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[8-[1-(3-aminopropyl)pyrazol-4-yl]dibenzofuran-2-yl]pyrazol-1-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCCCC1=CC(=CC=C1)C2=CC(=C(C=C2)NC(=O)NC3=C(C=C(C=C3)C4=CC=CC(=C4)CCCN)F)F

DOS

IR

Vibrations