Geometry & MOs

Info

ID:	413257
PubChem CID:	135086204
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	10.99
Dipole, Da:	8.51
IP(EA), eV:	-9.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CCC=O)/C=C/[N+](=O)[O-]

DOS

IR

Vibrations