Geometry & MOs

Info

ID:	413071
PubChem CID:	135086015
Reduced:	BrN2F3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	319.120843
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	3.92
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)NC2=CC=NC=C2)Br

DOS

IR

Vibrations