Geometry & MOs

Info

ID:	235239
PubChem CID:	92304265
Reduced:	FON2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	3.46
IP(EA), eV:	-8.37(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C[C@@H](C1=CC(=CC=C1)F)C2=CN(C3=CC=CC=C32)CC

DOS

IR

Vibrations