Geometry & MOs

Info

ID:	355609
PubChem CID:	127289367
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	6.58
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-7-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations