Geometry & MOs

Info

ID:	23438
PubChem CID:	603496
Reduced:	ON2H8C11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	184.063663
ΔH_f, kcal/mol:	58.34
Dipole, Da:	1.18
IP(EA), eV:	-9.33(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-prop-2-ynylquinazolin-4-one

Drug info:

PubChemData

Smile

C#CCN1C=NC2=CC=CC=C2C1=O

DOS

IR

Vibrations