Geometry & MOs

Info

ID:	431144
PubChem CID:	135171214
Reduced:	ClON5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	28.02
Dipole, Da:	6.11
IP(EA), eV:	-8.57(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S)-3-(2-phenylpropan-2-ylamino)cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CN=C(N=C2)Cl)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations