Geometry & MOs

Info

ID:	430994
PubChem CID:	135171064
Reduced:	O2F3N3C25H28 (1)
Stoich.:	A2B3C3D25E28 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-200.36
Dipole, Da:	4.12
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations