Geometry & MOs

Info

ID:	206285
PubChem CID:	80225647
Reduced:	ON5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	-16.94
Dipole, Da:	4.08
IP(EA), eV:	-8.61(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-aminoquinazolin-4-yl)-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CCC(C(C1=CN(N=C1)C)N2CCN(C(=O)C2(C)C)C)N

DOS

IR

Vibrations