Geometry & MOs

Info

ID:	361677
PubChem CID:	127304392
Reduced:	O2N7C14H21 (1)
Stoich.:	A2B7C14D21 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	29.97
Dipole, Da:	2.32
IP(EA), eV:	-9.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CCN3C=CN=N3

DOS

IR

Vibrations