Geometry & MOs

Info

ID:	336025
PubChem CID:	127255032
Reduced:	N2O4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	349.15904
ΔH_f, kcal/mol:	-73.25
Dipole, Da:	5.41
IP(EA), eV:	-8.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoroindol-1-yl)ethyl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H](C3=CC=CC=C3)N4CC5=CC=CC=C5C4=O)OC

DOS

IR

Vibrations