Geometry & MOs

Info

ID:	318125
PubChem CID:	126649059
Reduced:	O2N9H19C22 (1)
Stoich.:	A2B9C19D22 (1)
Weight, g/mol:	306.100442
ΔH_f, kcal/mol:	108.72
Dipole, Da:	6.47
IP(EA), eV:	-9.03(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyano-1-methylindol-4-yl) 2-methoxybenzoate

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C2=NC=C(C=C2)C3=CC(=C(C=C3)COC4=CC(=NC5=NNN=C45)N)C#N

DOS

IR

Vibrations