Geometry & MOs

Info

ID:	414086
PubChem CID:	135087040
Reduced:	FN2O2H19C25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	414.113506
ΔH_f, kcal/mol:	12.21
Dipole, Da:	3.16
IP(EA), eV:	-8.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-(methoxymethyl)-3-(2-phenylethynyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1C(=O)NC3=CC=C(C=C3)OC)C#CC4=CC=C(C=C4)F

DOS

IR

Vibrations