Geometry & MOs

Info

ID:	31207
PubChem CID:	855180
Reduced:	SO2N6C12H16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	13.17
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-benzyl-2-ethylquinazolin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSC2=NNC3=NC(=O)C=C(N32)N

DOS

IR

Vibrations