Geometry & MOs

Info

ID:	318192
PubChem CID:	126649468
Reduced:	ON8C21H24 (1)
Stoich.:	AB8C21D24 (1)
Weight, g/mol:	374.087827
ΔH_f, kcal/mol:	114.82
Dipole, Da:	6.4
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[6-cyano-1-methyl-2-(trifluoromethyl)indol-4-yl]-2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations