Geometry & MOs

Info

ID:	234895
PubChem CID:	92303668
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-89.37
Dipole, Da:	4.84
IP(EA), eV:	-8.47(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-4-yl)-N-cyclohexyl-3-(7-ethyl-1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@@H](CC(=O)NC3CCCCC3)C4=C5C(=CC=C4)OCO5

DOS

IR

Vibrations