Geometry & MOs

Info

ID:

446704

PubChem CID:

135277022

Reduced:

F3N3C31H40 (1)

Stoich.:

A3B3C31D40 (1)

Weight, g/mol:

535.245805

ΔHf, kcal/mol:

-110.67

Dipole, Da:

6.32

IP(EA), eV:

 -8.24(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(N1CC(C)C(=C)C)C3=C(C=CC(=C3C)CCCNCCCF)F)NC4=C2C=C(C=C4)F

DOS

IR

Vibrations