Geometry & MOs

Info

ID:	430782
PubChem CID:	135170849
Reduced:	FO2N3C27H30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	445.216555
ΔH_f, kcal/mol:	-62.35
Dipole, Da:	1.59
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-fluoro-N-[5-[(3-methyl-1-benzofuran-2-yl)methylamino]cyclohexen-1-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=C(C3=CC=CC=C3O2)C)C(=O)C4=CC5=C(N4)C=CC(=C5)F

DOS

IR

Vibrations