Geometry & MOs

Info

ID:	349039
PubChem CID:	127274765
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-62.61
Dipole, Da:	6.19
IP(EA), eV:	-8.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-(2-cyclopentyloxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OCCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations