Geometry & MOs

Info

ID:	413155
PubChem CID:	135086100
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	7.89
IP(EA), eV:	-8.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[1-(4-oxobutyl)indol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C/C(=C\1/C=NC2=CC=CC=C21)/NCC3(OCCO3)C

DOS

IR

Vibrations