Geometry & MOs

Info

ID:

327443

PubChem CID:

126689919

Reduced:

N5O8C42H43 (1)

Stoich.:

A5B8C42D43 (1)

Weight, g/mol:

440.177917

ΔHf, kcal/mol:

-184.04

Dipole, Da:

6.97

IP(EA), eV:

 -8.76(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-7-[2-(6-methyl-6-azaspiro[2.5]octan-2-yl)ethoxy]quinazolin-4-amine

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2C(=O)N3CC4=CC=CC=C4C[C@H]3C1=O)OC)OCCNCCOC5=C(C=C6C(=C5)N(C(=O)[C@@H]7CC8=CC=CC=C8CN7C6=O)C)OC

DOS

IR

Vibrations