Geometry & MOs

Info

ID:	259459
PubChem CID:	103166010
Reduced:	O2Cl3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	322.06808
ΔH_f, kcal/mol:	-105.59
Dipole, Da:	3.44
IP(EA), eV:	-9.03(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-bromo-2-cyclobutylethyl)-3-methyl-1,4-dihydroquinazolin-2-one

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=CC(=C(C=C2Cl)OCC)Cl)Cl

DOS

IR

Vibrations