Geometry & MOs

Info

ID:	430991
PubChem CID:	135171061
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	431.200905
ΔH_f, kcal/mol:	-20.05
Dipole, Da:	3.57
IP(EA), eV:	-8.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-benzofuran-2-ylmethylamino)cyclohexen-1-yl]-N-ethyl-5-fluoro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=C(C3=CC=CC=C3O2)C)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations