Geometry & MOs

Info

ID:	129666
PubChem CID:	51073498
Reduced:	SN2O5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	264.126263
ΔH_f, kcal/mol:	-86.78
Dipole, Da:	2.79
IP(EA), eV:	-8.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3'-methylspiro[1,3-dihydroindene-2,2'-1H-quinazoline]-4'-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(CSC2=NN=C(O2)C3=CC=CO3)O

DOS

IR

Vibrations