Geometry & MOs

Info

ID:	446717
PubChem CID:	135277146
Reduced:	F2N3O3C27H33 (1)
Stoich.:	A2B3C3D27E33 (1)
Weight, g/mol:	472.11617
ΔH_f, kcal/mol:	-146.68
Dipole, Da:	4.13
IP(EA), eV:	-8.38(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3R)-1-(3-bromo-6-fluoro-2-methylphenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OCCNCCCF)[C@@H]2C3=C(C[C@H](N2CC4(CC4)F)O)C5=CC=CC=C5N3

DOS

IR

Vibrations