Geometry & MOs

Info

ID:	435279
PubChem CID:	135187600
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	38.27
Dipole, Da:	8.5
IP(EA), eV:	-9.44(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxo-1H-quinazolin-2-yl)butanal

Drug info:

PubChemData

Smile

CC1([C@H]2CCN(C(=O)[C@@]2(C=C(C1=O)C#N)C3=CC=CC=C3)C)C

DOS

IR

Vibrations