Geometry & MOs

Info

ID:	71263
PubChem CID:	48414535
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-95.62
Dipole, Da:	7.12
IP(EA), eV:	-8.77(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-8-methylquinazolin-4-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCN2C(=O)C3(CCCCC3)NC2=O

DOS

IR

Vibrations