Geometry & MOs

Info

ID:

446715

PubChem CID:

135277141

Reduced:

N3O5H23C27 (1)

Stoich.:

A3B5C23D27 (1)

Weight, g/mol:

481.215253

ΔHf, kcal/mol:

-103.34

Dipole, Da:

2.9

IP(EA), eV:

 -8.32(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(1R,3R)-2-(2,2-difluoroethyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2,4-difluorophenoxy]ethyl]-3-fluoropropan-1-amine

Drug info:

PubChemData

Smile

CC(NC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)NC(=O)ON5C(=O)CCC5=O)O

DOS

IR

Vibrations