Geometry & MOs

Info

ID:	143434
PubChem CID:	53208323
Reduced:	FN2O2H23C25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	432.160456
ΔH_f, kcal/mol:	-57.83
Dipole, Da:	5.69
IP(EA), eV:	-8.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[[2-(2-chlorophenyl)ethylamino]methyl]-6-methylindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNCC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations