Geometry & MOs

Info

ID:	430954
PubChem CID:	135171024
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-137.75
Dipole, Da:	3.45
IP(EA), eV:	-8.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC(=O)OC(C)(C)C)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations