Geometry & MOs

Info

ID:	430990
PubChem CID:	135171060
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	429.241627
ΔH_f, kcal/mol:	-16.88
Dipole, Da:	3.8
IP(EA), eV:	-8.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(3-methyl-1-benzofuran-2-yl)methylamino]cyclohexyl]-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=CC=CC=C5N4

DOS

IR

Vibrations