Geometry & MOs

Info

ID:	395851
PubChem CID:	135026710
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	406.116486
ΔH_f, kcal/mol:	-23.56
Dipole, Da:	3.94
IP(EA), eV:	-9.44(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[2-[2-(2-nitrophenyl)ethenyl]-1H-indol-3-yl]but-2-enedioate

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C(C=C1)C2=CC=CC=C2)[C@H](C3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations