Geometry & MOs

Info

ID:	370558
PubChem CID:	127339693
Reduced:	SO3N4C15H24 (1)
Stoich.:	AB3C4D15E24 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	5.91
IP(EA), eV:	-9.46(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations