Geometry & MOs

Info

ID:	284821
PubChem CID:	104072319
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	256.084792
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	1.68
IP(EA), eV:	-8.22(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(hydroxymethyl)furan-2-yl]methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2N1CC3=CC=C(O3)CO

DOS

IR

Vibrations