Geometry & MOs

Info

ID:	430742
PubChem CID:	135170809
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	21.87
Dipole, Da:	5.9
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(1-phenylcyclopropyl)amino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=NC=C4

DOS

IR

Vibrations