Geometry & MOs

Info

ID:	430984
PubChem CID:	135171054
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	9.18
Dipole, Da:	2.47
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=C(C=C2)OC=N3)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations