Geometry & MOs

Info

ID:	45777
PubChem CID:	10517557
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	1.57
IP(EA), eV:	-8.57(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-ethyl-3-(5-methyl-1,2-oxazol-3-yl)quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2C[C@H](C)OC)C)C=C(C=C3)O

DOS

IR

Vibrations