Geometry & MOs

Info

ID:	431024
PubChem CID:	135171094
Reduced:	OF2N4C24H34 (1)
Stoich.:	AB2C4D24E34 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	4.69
IP(EA), eV:	-8.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC[C@H](C1)NC/C(=C/C)/C=C(\C=C)/F)C(=O)C2=NC(=C(N2)C)/C=C(\C)/F

DOS

IR

Vibrations