Geometry & MOs

Info

ID:	136837
PubChem CID:	52109635
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	1.28
Dipole, Da:	3.58
IP(EA), eV:	-8.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(4-methoxyanilino)quinazolin-4-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations