Geometry & MOs

Info

ID:	398070
PubChem CID:	135031622
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-137.02
Dipole, Da:	1.89
IP(EA), eV:	-8.58(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(1H-indol-2-yl)-2-prop-2-enylpropanedioate

Drug info:

PubChemData

Smile

COC(=O)[C@@]12CC[C@@H](N3C1=C(CCNC2=O)C4=CC=CC=C43)O

DOS

IR

Vibrations