Geometry & MOs

Info

ID:	338693
PubChem CID:	127259704
Reduced:	ClO2N5H6C9 (1)
Stoich.:	AB2C5D6E9 (1)
Weight, g/mol:	326.141913
ΔH_f, kcal/mol:	114.0
Dipole, Da:	9.56
IP(EA), eV:	-9.99(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(Z)-(2-phenylindol-3-ylidene)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])N/C=C/2\C=NN=N2)Cl

DOS

IR

Vibrations