Geometry & MOs

Info

ID:	25404
PubChem CID:	624318
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	63.33
Dipole, Da:	7.46
IP(EA), eV:	-8.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-indol-3-yl)-N-(4-methyl-3-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC=C2[N+](=O)[O-])NC3=CC=CC=C3

DOS

IR

Vibrations