Geometry & MOs

Info

ID:	430969
PubChem CID:	135171039
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	2.69
IP(EA), eV:	-8.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=CC=C4OC

DOS

IR

Vibrations