Geometry & MOs

Info

ID:

425751

PubChem CID:

135127795

Reduced:

ClFN5C27H37 (1)

Stoich.:

ABC5D27E37 (1)

Weight, g/mol:

527.340232

ΔHf, kcal/mol:

7.88

Dipole, Da:

7.04

IP(EA), eV:

 -8.11(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorocyclohexyl)-6-(2,6-dimethoxypiperidin-3-yl)-2-(6-methylpiperidin-3-yl)-1,2,3,4,4a,7,8,8a-octahydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CN(C)C1C=CCCC1[C@H]2CC3C(C=C2)N=C(N=C3NC4CCC(=C(C4)Cl)F)C5CC=CNC5

DOS

IR

Vibrations