Geometry & MOs

Info

ID:	24988
PubChem CID:	616267
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	0.81
IP(EA), eV:	-8.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3)N)OC

DOS

IR

Vibrations