Geometry & MOs

Info

ID:

83733

PubChem CID:

49860748

Reduced:

ClOSN3C17H22 (1)

Stoich.:

ABCD3E17F22 (1)

Weight, g/mol:

1160.677804

ΔHf, kcal/mol:

-13.86

Dipole, Da:

7.92

IP(EA), eV:

 -8.77(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[6-[6-[6-[[3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]phenyl]-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone;hydrochloride

Drug info:

PubChemData

Smile

C1CNCCN(C1)C(=O)[C@H]2CC3=C(CN2)SC4=CC=CC=C34.Cl

DOS

IR

Vibrations