Geometry & MOs

Info

ID:	413329
PubChem CID:	135086277
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	383.01571
ΔH_f, kcal/mol:	-15.22
Dipole, Da:	2.35
IP(EA), eV:	-9.6(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-(4-bromophenyl)-2-(3-formyl-1H-indol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C\1=NC2=CC=CC=C2/C1=C(\C(=O)OC)/NO

DOS

IR

Vibrations