Geometry & MOs

Info

ID:	335575
PubChem CID:	127254437
Reduced:	FO3N4H13C19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	-86.99
Dipole, Da:	4.92
IP(EA), eV:	-8.41(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-propan-2-ylindol-3-yl)ethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC2=C(C1=O)C=C(C=C2)NC(=O)C3=CNC4=C(C3=O)C=CC=C4F

DOS

IR

Vibrations