Geometry & MOs

Info

ID:	37312
PubChem CID:	8019412
Reduced:	ClSO2N3C10H12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	-30.54
Dipole, Da:	8.36
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl cyclobutanecarboxylate

Drug info:

PubChemData

Smile

CNC(=S)NNC(=O)COC1=CC=CC=C1Cl

DOS

IR

Vibrations