Geometry & MOs

Info

ID:	397120
PubChem CID:	135029758
Reduced:	N3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	290.165723
ΔH_f, kcal/mol:	115.39
Dipole, Da:	3.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.838128
Charge, e:	1

Chem-info

IUPAC name:

3-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-3H-indazol-2-ium

Drug info:

PubChemData

Smile

C1CC[N+](=N/N=C\2/C=CC=C/C2=C\C=C\C3=CC=CC=C3)C1

DOS

IR

Vibrations