Geometry & MOs

Info

ID:	397004
PubChem CID:	135029585
Reduced:	O2H8C9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	3.25
IP(EA), eV:	-9.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-phenyl-3-[2-(pyrrolidin-1-yldiazenyl)phenyl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CCC(=O)C1=CC2=C(C=C1)OC3=C2C=C(C=C3)C(=O)OCC

DOS

IR

Vibrations