Geometry & MOs

Info

ID:	430781
PubChem CID:	135170848
Reduced:	N3O4C28H41 (1)
Stoich.:	A3B4C28D41 (1)
Weight, g/mol:	447.232205
ΔH_f, kcal/mol:	-170.74
Dipole, Da:	3.84
IP(EA), eV:	-8.0(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-fluoro-N-[(1S,3R)-3-[(3-methyl-1-benzofuran-2-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(C3=CC4=C(N3)CCCO4)O

DOS

IR

Vibrations