Geometry & MOs

Info

ID:

170136

PubChem CID:

75202627

Reduced:

F6N7C35H37 (1)

Stoich.:

A6B7C35D37 (1)

Weight, g/mol:

670.285479

ΔHf, kcal/mol:

-171.12

Dipole, Da:

6.0

IP(EA), eV:

 -8.99(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)quinolin-2-amine

Drug info:

PubChemData

Smile

CC1(CCC2=CC(=C(N=C21)N(CC3CC3)CC4CC4)CN(CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=NC=C(C=N6)C7=CC=NN7)C

DOS

IR

Vibrations