Geometry & MOs

Info

ID:	308669
PubChem CID:	126522365
Reduced:	ClN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	348.12407
ΔH_f, kcal/mol:	-114.23
Dipole, Da:	5.83
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C(=O)N[C@@H]2C[C@@H](COC2)C3=CNC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations