Geometry & MOs

Info

ID:	29196
PubChem CID:	832286
Reduced:	SN4H16C18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	102.05
Dipole, Da:	3.38
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4)CC5=CC=CC=C5

DOS

IR

Vibrations