Geometry & MOs

Info

ID:	431253
PubChem CID:	135171324
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	29.07
Dipole, Da:	4.81
IP(EA), eV:	-9.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=NC=NC=C4N3

DOS

IR

Vibrations