Geometry & MOs

Info

ID:	397121
PubChem CID:	135029759
Reduced:	N3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	127.73
Dipole, Da:	2.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.696443
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)[N+]2=NC3=CC=CC=C3C2/C=C/C4=CC=CC=C4

DOS

IR

Vibrations