Geometry & MOs

Info

ID:	46002
PubChem CID:	10520275
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	327.006513
ΔH_f, kcal/mol:	-45.65
Dipole, Da:	8.65
IP(EA), eV:	-8.56(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CN1[C@@H](COC1=O)CC2=CC3=C(C=C2)NC=C3C4CC(C4)N(C)C

DOS

IR

Vibrations