Geometry & MOs

Info

ID:	405666
PubChem CID:	135074881
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	389.147452
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	1.64
IP(EA), eV:	-8.46(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(1H-indol-4-ylmethyl)-2-[(E)-4-methoxycarbonyloxybut-2-enyl]propanedioate

Drug info:

PubChemData

Smile

C/C(=C\COC(=O)OC)/CN(CC1=CC=CC=C1)CC2=CC3=CC=CC=C3N2

DOS

IR

Vibrations