Geometry & MOs

Info

ID:	71149
PubChem CID:	48414361
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-23.4
Dipole, Da:	2.91
IP(EA), eV:	-8.92(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1OCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations