Geometry & MOs

Info

ID:	217985
PubChem CID:	85088695
Reduced:	FIO3N4H12C13 (1)
Stoich.:	ABC3D4E12F13 (1)
Weight, g/mol:	417.089849
ΔH_f, kcal/mol:	-69.94
Dipole, Da:	15.14
IP(EA), eV:	-9.59(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CC1N)C2=NC3=NC=C(C(=O)C3C(=C2F)I)C(=O)O

DOS

IR

Vibrations