Geometry & MOs

Info

ID:	235240
PubChem CID:	92304267
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-82.76
Dipole, Da:	5.88
IP(EA), eV:	-8.22(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-3-(1-ethylindol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)[C@@H](CC(=O)NC3CCCCC3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations