Geometry & MOs

Info

ID:	173818
PubChem CID:	75686817
Reduced:	NSO2H19C24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	382.10842
ΔH_f, kcal/mol:	29.49
Dipole, Da:	2.95
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-1,3-benzodioxol-5-yl)-N-(3-indol-1-ylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=C2C(=CC(=N3)C4=CC5=CC=CC=C5O4)C6=CC=CO6

DOS

IR

Vibrations