Geometry & MOs

Info

ID:	430810
PubChem CID:	135170877
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-20.25
Dipole, Da:	4.79
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-(oxetan-3-ylideneamino)cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N=C2COC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations