Geometry & MOs

Info

ID:

446695

PubChem CID:

135276976

Reduced:

OSN4C18H22 (1)

Stoich.:

ABC4D18E22 (1)

Weight, g/mol:

575.297091

ΔHf, kcal/mol:

63.16

Dipole, Da:

5.25

IP(EA), eV:

 -8.82(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[3-[(1R,3R)-2-(2,2-difluoroethyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-4-methoxyphenoxy]ethyl]-N-(3-fluoropropyl)carbamate

Drug info:

PubChemData

Smile

C/C=C\C=C/C(=C)[C@@H]1CCCCN1C(=O)C2=NN3C(=NC=C3S2)C

DOS

IR

Vibrations