Geometry & MOs

Info

ID:

300448

PubChem CID:

121283339

Reduced:

O2F3N5C25H32 (1)

Stoich.:

A2B3C5D25E32 (1)

Weight, g/mol:

550.236717

ΔHf, kcal/mol:

-212.57

Dipole, Da:

5.61

IP(EA), eV:

 -8.8(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-8-yl]amino]-N-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC2=C(C1)C=CC=C2NCC(=O)N(CCNC)CC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations