Geometry & MOs

Info

ID:	352366
PubChem CID:	127283453
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-72.72
Dipole, Da:	4.06
IP(EA), eV:	-8.68(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC=C2CC(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C

DOS

IR

Vibrations