Geometry & MOs

Info

ID:	134532
PubChem CID:	51711782
Reduced:	ON3C17H33 (1)
Stoich.:	AB3C17D33 (1)
Weight, g/mol:	293.246713
ΔH_f, kcal/mol:	-31.39
Dipole, Da:	20.72
IP(EA), eV:	-6.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aS,7aS)-N-(1-ethylpiperidin-4-yl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC[NH+]1CCC(CC1)N(C)C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2

DOS

IR

Vibrations