Geometry & MOs

Info

ID:	197469
PubChem CID:	78968527
Reduced:	ClN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	288.082954
ΔH_f, kcal/mol:	44.42
Dipole, Da:	3.73
IP(EA), eV:	-8.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-1H-indol-3-yl)methyl]-3-fluoro-4-methylaniline

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NCC2=CNC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations