Geometry & MOs

Info

ID:	136847
PubChem CID:	52111219
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	334.203171
ΔH_f, kcal/mol:	-45.02
Dipole, Da:	4.87
IP(EA), eV:	-8.27(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)quinazolin-2-amine

Drug info:

PubChemData

Smile

COCCCNC1=NC2=CC=CC=C2C(=N1)NC[C@H]3CCCO3

DOS

IR

Vibrations