Geometry & MOs

Info

ID:	307709
PubChem CID:	125308349
Reduced:	N2O5C29H44 (1)
Stoich.:	A2B5C29D44 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-218.21
Dipole, Da:	4.44
IP(EA), eV:	-9.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[(3R)-6-methoxy-3H-indol-3-yl]ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)O

DOS

IR

Vibrations