Geometry & MOs

Info

ID:	440662
PubChem CID:	135230846
Reduced:	OCl2N5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	440.191149
ΔH_f, kcal/mol:	13.94
Dipole, Da:	3.65
IP(EA), eV:	-9.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-fluoro-4-[2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(NN=C2N=C1N3CCC4(CCCC4)CC3)C5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations