Geometry & MOs

Info

ID:	344638
PubChem CID:	127268223
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	58.62
Dipole, Da:	6.59
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(4-pyridazin-3-ylpiperazin-1-yl)methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CN2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations